(phenylmethyl) 3-methylidene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-methylidene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzyl 3-methylene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-methylene-7-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methylidene-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 8-keto-3-methylene-7-[(4-nitrobenzyl)oxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=C1CSC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c1-14-13-34-21-18(24-23(29)33-12-16-7-9-17(10-8-16)26(30)31)20(27)25(21)19(14)22(28)32-11-15-5-3-2-4-6-15/h2-10,18-19,21H,1,11-13H2,(H,24,29)