7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-benzhydryloxy-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxoethoxy]imino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-3-[[(E)-3-methoxy-3-oxoprop-1-enyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-benzhydryloxy-2-oxoethoxy)imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-benzhydryloxy-2-keto-ethyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-3-[[(E)-3-keto-3-methoxy-prop-1-enyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C50H40N5O9S3- MolecularWeight: 951.0757

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC1)C(=O)[O-]

Isomeric SMILES

COC(=O)/C=C/SC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC1)C(=O)[O-]

InChI

InChI=1S/C50H41N5O9S3/c1-62-39(56)27-28-65-38-31-66-47-42(46(59)55(47)43(38)48(60)61)52-45(58)41(54-63-29-40(57)64-44(32-17-7-2-8-18-32)33-19-9-3-10-20-33)37-30-67-49(51-37)53-50(34-21-11-4-12-22-34,35-23-13-5-14-24-35)36-25-15-6-16-26-36/h2-28,30,42,44,47H,29,31H2,1H3,(H,51,53)(H,52,58)(H,60,61)/p-1/b28-27+,54-41+