(4-nitrophenyl) 7-azanyl-3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl) 7-azanyl-3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl) 7-amino-8-oxo-3-(p-tolylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(4-methylphenyl)sulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 7-amino-3-(4-methylphenyl)sulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-tosyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl) ester Formula: C20H17N3O8S2 MolecularWeight: 491.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(C(C3=O)N)SC2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(C(C3=O)N)SC2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8S2/c1-11-2-8-14(9-3-11)33(28,29)31-15-10-32-19-16(21)18(24)22(19)17(15)20(25)30-13-6-4-12(5-7-13)23(26)27/h2-9,16,19H,10,21H2,1H3