3-[(E)-3-[6'-[(E)-3-[2-carboxy-5,8-bis(oxidanylidene)-7-(2-thiophen-2-ylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enoxy]-2',7'-bis(chloranyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxyprop-1-enyl]-5,8-bis(oxidanylidene)-7-(2-thiophen-2-ylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(E)-3-[6'-[(E)-3-[2-carboxy-5,8-bis(oxidanylidene)-7-(2-thiophen-2-ylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enoxy]-2',7'-bis(chloranyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxyprop-1-enyl]-5,8-bis(oxidanylidene)-7-(2-thiophen-2-ylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-3-[6'-[(E)-3-[2-carboxy-5,8-dioxo-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyloxy]-2',7'-dichloro-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]oxyprop-1-enyl]-5,8-dioxo-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(E)-3-[[6'-[(E)-3-[2-carboxy-5,8-dioxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enoxy]-2',7'-dichloro-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]oxy]prop-1-enyl]-5,8-dioxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(E)-3-[6'-[(E)-3-[2-carboxy-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enoxy]-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxyprop-1-enyl]-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-3-[6'-[(E)-3-[2-carboxy-5,8-diketo-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyloxy]-2',7'-dichloro-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]oxyprop-1-enyl]-5,8-diketo-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C52H38Cl2N4O15S4 MolecularWeight: 1158.04192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CCOC4=C(C=C5C(=C4)OC6=CC(=C(C=C6C57C8=CC=CC=C8C(=O)O7)Cl)OCC=CC9=C(N1C(C(C1=O)NC(=O)CC1=CC=CS1)S(=O)C9)C(=O)O)Cl

Isomeric SMILES

C1S(=O)C2N(C(=C1/C=C/COC3=C(C=C4C5(OC(=O)C6=CC=CC=C56)C7=CC(=C(C=C7OC4=C3)OC/C=C/C8=C(N9C(=O)C(C9S(=O)C8)NC(=O)CC1=CC=CS1)C(=O)O)Cl)Cl)C(=O)O)C(=O)C2NC(=O)CC1=CC=CS1

InChI

InChI=1S/C52H38Cl2N4O15S4/c53-33-19-31-35(21-37(33)70-13-3-7-25-23-76(68)47-41(45(61)57(47)43(25)49(63)64)55-39(59)17-27-9-5-15-74-27)72-36-22-38(34(54)20-32(36)52(31)30-12-2-1-11-29(30)51(67)73-52)71-14-4-8-26-24-77(69)48-42(46(62)58(48)44(26)50(65)66)56-40(60)18-28-10-6-16-75-28/h1-12,15-16,19-22,41-42,47-48H,13-14,17-18,23-24H2,(H,55,59)(H,56,60)(H,63,64)(H,65,66)/b7-3+,8-4+