(diphenylmethyl) 3-methanoyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-methanoyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 3-formyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-formyl-7-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-formyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-formyl-8-keto-7-[(4-nitrobenzyl)oxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C29H23N3O8S MolecularWeight: 573.57322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C=O

InChI

InChI=1S/C29H23N3O8S/c33-15-21-17-41-27-23(30-29(36)39-16-18-11-13-22(14-12-18)32(37)38)26(34)31(27)24(21)28(35)40-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,17,23-25,27H,16H2,(H,30,36)