(4-nitrophenyl)methyl 3-(2-acetamidoethylsulfinyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-acetamidoethylsulfinyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-acetamidoethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-acetamidoethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-acetamidoethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-acetamidoethylsulfinyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCS(=O)C1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCS(=O)C1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-11(22)19-6-7-29(27)15-8-14-9-16(23)20(14)17(15)18(24)28-10-12-2-4-13(5-3-12)21(25)26/h2-5,14H,6-10H2,1H3,(H,19,22)