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

Systemtic Name: (diphenylmethyl) 3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-7-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-methyl-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-7-[(4-nitrobenzyl)oxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C29H25N3O7S MolecularWeight: 559.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O7S/c1-18-17-40-27-23(30-29(35)38-16-19-12-14-22(15-13-19)32(36)37)26(33)31(27)24(18)28(34)39-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23,25,27H,16-17H2,1H3,(H,30,35)