[2-oxidanylidene-2-(phenethylamino)ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-15(22)14-26-18-10-6-5-9-17(18)20(24)25-13-19(23)21-12-11-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,23)