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

Systemtic Name: (phenylmethyl) 3-(2-acetamidoethylsulfinyl)-3-chloranyl-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-(2-acetamidoethylsulfinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(2-acetamidoethylsulfinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-acetamidoethylsulfinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(2-acetamidoethylsulfinyl)-3-chloro-7-keto-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCS(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NCCS(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-12(22)20-7-8-27(25)18(19)10-14-9-15(23)21(14)16(18)17(24)26-11-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3,(H,20,22)