(4-nitrophenyl)methyl 3-(1-acetamidoethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(1-acetamidoethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(1-acetamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(1-acetamidoethylthio)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1-acetamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(1-acetamidoethylthio)-7-keto-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C)SC1CC2CC(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(NC(=O)C)SC1CC2CC(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-10(22)19-11(2)28-15-7-14-8-16(23)20(14)17(15)18(24)27-9-12-3-5-13(6-4-12)21(25)26/h3-6,11,14-15,17H,7-9H2,1-2H3,(H,19,22)