prop-2-enyl 8-oxidanylidene-3-[[3-oxidanylidene-6'-[[8-oxidanylidene-2-prop-2-enoxycarbonyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 8-oxidanylidene-3-[[3-oxidanylidene-6'-[[8-oxidanylidene-2-prop-2-enoxycarbonyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl 3-[[6'-[[2-allyloxycarbonyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-[[3-oxo-6'-[[8-oxo-2-[oxo(prop-2-enoxy)methyl]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3'-spiro[isobenzofuran-1,9'-xanthene]yl]oxymethyl]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 8-oxo-3-[[3-oxo-6'-[[8-oxo-2-prop-2-enoxycarbonyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[6'-[[2-allyloxycarbonyl-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]oxymethyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C54H44N4O13S4 MolecularWeight: 1085.20616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC4=CC5=C(C=C4)C6(C7=C(O5)C=C(C=C7)OCC8=C(N9C(C(C9=O)NC(=O)CC1=CC=CS1)SC8)C(=O)OCC=C)C1=CC=CC=C1C(=O)O6

Isomeric SMILES

C=CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC4=CC5=C(C=C4)C6(C7=C(O5)C=C(C=C7)OCC8=C(N9C(C(C9=O)NC(=O)CC1=CC=CS1)SC8)C(=O)OCC=C)C1=CC=CC=C1C(=O)O6

InChI

InChI=1S/C54H44N4O13S4/c1-3-17-66-52(64)45-29(27-74-49-43(47(61)57(45)49)55-41(59)23-33-9-7-19-72-33)25-68-31-13-15-37-39(21-31)70-40-22-32(14-16-38(40)54(37)36-12-6-5-11-35(36)51(63)71-54)69-26-30-28-75-50-44(56-42(60)24-34-10-8-20-73-34)48(62)58(50)46(30)53(65)67-18-4-2/h3-16,19-22,43-44,49-50H,1-2,17-18,23-28H2,(H,55,59)(H,56,60)