6-[(4-nitrophenyl)methoxycarbonyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-[(4-nitrophenyl)methoxycarbonyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[(4-nitrophenyl)methoxy-oxomethyl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6-(4-nitrobenzyl)oxycarbonyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H18N3O7S- MolecularWeight: 432.42712

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC2(C3CC=C(N3C2=O)C(=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCC1SC2(C3CC=C(N3C2=O)C(=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7S/c23-16(24)14-5-6-15-19(17(25)21(14)15,30-13-7-8-20-9-13)18(26)29-10-11-1-3-12(4-2-11)22(27)28/h1-5,13,15,20H,6-10H2,(H,23,24)/p-1