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

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1H-pyrazol-4-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-(1H-pyrazol-4-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-(1H-pyrazol-4-ylmethylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(1H-pyrazol-4-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-(1H-pyrazol-4-ylmethylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C29H25N7O5S3 MolecularWeight: 647.7477

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)SCC6=CNN=C6

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)SCC6=CNN=C6

InChI

InChI=1S/C29H25N7O5S3/c30-29-33-19(14-44-29)21(35-40)25(37)34-22-26(38)36-23(20(15-43-27(22)36)42-13-16-11-31-32-12-16)28(39)41-24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,22,24,27,40H,13,15H2,(H2,30,33)(H,31,32)(H,34,37)/b35-21+