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

Systemtic Name: (diphenylmethyl) 3-acetamido-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-acetamido-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-acetamido-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-acetamido-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-acetamido-8-keto-7-[(4-nitrobenzyl)oxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H26N4O8S MolecularWeight: 602.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=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

CC(=O)NC1=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/C30H26N4O8S/c1-18(35)31-23-17-43-28-24(32-30(38)41-16-19-12-14-22(15-13-19)34(39)40)27(36)33(28)25(23)29(37)42-26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24,26,28H,16-17H2,1H3,(H,31,35)(H,32,38)