[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H20ClNO3S MolecularWeight: 377.885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-13(2)21-18(22)11-24-19(23)15-5-3-4-14(10-15)12-25-17-8-6-16(20)7-9-17/h3-10,13H,11-12H2,1-2H3,(H,21,22)