[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-16(23)15-27-19-12-6-5-11-18(19)21(25)26-14-20(24)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,22,24)