[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-14(2)11-22-19(23)12-25-20(24)16-5-3-15(4-6-16)13-26-18-9-7-17(21)8-10-18/h3-10,14H,11-13H2,1-2H3,(H,22,23)