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

Systemtic Name: (phenylmethyl) 3-(1-acetamidoethylsulfinyl)-3-chloranyl-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-(1-acetamidoethylsulfinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(1-acetamidoethylsulfinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-acetamidoethylsulfinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(1-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(NC(=O)C)S(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(NC(=O)C)S(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-11(22)20-12(2)27(25)18(19)9-14-8-15(23)21(14)16(18)17(24)26-10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-10H2,1-2H3,(H,20,22)