[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-13(2)22-19(23)14(3)25-20(24)16-6-4-15(5-7-16)12-26-18-10-8-17(21)9-11-18/h4-11,13-14H,12H2,1-3H3,(H,22,23)