(diphenylmethyl) 7-[[(2E)-2-acetyloxyimino-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-8-oxidanylidene-3-(pyridin-3-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-acetyloxyimino-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-8-oxidanylidene-3-(pyridin-3-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-acetoxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-3-(3-pyridylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-acetyloxyimino-2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-8-oxo-3-(3-pyridinylmethylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-3-(pyridin-3-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-acetyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-3-(3-pyridylmethylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C33H28N6O6S3 MolecularWeight: 700.80702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SCC4=CN=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)SCC4=CN=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H28N6O6S3/c1-19(40)45-38-25(23-17-48-33(34)36-23)29(41)37-26-30(42)39-27(24(18-47-31(26)39)46-16-20-9-8-14-35-15-20)32(43)44-28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,17,26,28,31H,16,18H2,1H3,(H2,34,36)(H,37,41)/b38-25+