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

Systemtic Name: (4-nitrophenyl)methyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-pyridin-3-ylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-(3-pyridylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(3-pyridinylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-pyridin-3-ylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(3-pyridylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C27H22N4O9S2 MolecularWeight: 610.61498

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OS(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OS(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H22N4O9S2/c32-22(13-17-5-2-1-3-6-17)29-23-25(33)30-24(27(34)39-15-18-8-10-19(11-9-18)31(35)36)21(16-41-26(23)30)40-42(37,38)20-7-4-12-28-14-20/h1-12,14,23,26H,13,15-16H2,(H,29,32)