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

Systemtic Name: (phenylmethyl) 3-(2-hydroxyethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-(2-hydroxyethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(2-hydroxyethylthio)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-hydroxyethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(2-hydroxyethylthio)-7-keto-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(C1SCCO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2CC(=O)N2C(C1SCCO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H19NO4S/c18-6-7-22-13-8-12-9-14(19)17(12)15(13)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-13,15,18H,6-10H2