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

Systemtic Name: (4-methoxyphenyl)methyl 7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-(2-hydroxyethylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-[[(2E)-2-(2-benzhydryloxy-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-[[(2E)-2-(2-benzhydryloxy-2-oxoethoxy)imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-(2-hydroxyethylsulfanyl)-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]-3-(2-hydroxyethylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C56H49N5O9S3 MolecularWeight: 1032.21136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)SCCO

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)/C(=N/OCC(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)/C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)SCCO

InChI

InChI=1S/C56H49N5O9S3/c1-67-43-29-27-37(28-30-43)33-68-54(66)49-45(71-32-31-62)36-72-53-48(52(65)61(49)53)58-51(64)47(60-69-34-46(63)70-50(38-17-7-2-8-18-38)39-19-9-3-10-20-39)44-35-73-55(57-44)59-56(40-21-11-4-12-22-40,41-23-13-5-14-24-41)42-25-15-6-16-26-42/h2-30,35,48,50,53,62H,31-34,36H2,1H3,(H,57,59)(H,58,64)/b60-47+