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

Systemtic Name: (phenylmethyl) 3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-(2-acetamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(2-acetamidoethylthio)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-acetamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(2-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(=O)NCCSC1CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCSC1CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S/c1-12(21)19-7-8-25-15-9-14-10-16(22)20(14)17(15)18(23)24-11-13-5-3-2-4-6-13/h2-6,14-15,17H,7-11H2,1H3,(H,19,21)