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

Systemtic Name: (4-nitrophenyl)methyl 3-methylsulfonyloxy-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methylsulfonyloxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methylsulfonyloxy-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methylsulfonyloxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methylsulfonyloxy-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H21N3O10S2 MolecularWeight: 563.55694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O10S2/c1-38(32,33)36-17-13-37-22-19(24-18(27)12-34-16-5-3-2-4-6-16)21(28)25(22)20(17)23(29)35-11-14-7-9-15(10-8-14)26(30)31/h2-10,19,22H,11-13H2,1H3,(H,24,27)