(phenylmethyl) 3-(1-acetamidoethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(1-acetamidoethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C)SC1CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(NC(=O)C)SC1CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S/c1-11(21)19-12(2)25-15-8-14-9-16(22)20(14)17(15)18(23)24-10-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-10H2,1-2H3,(H,19,21)