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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3S/c1-15(2)11-12-23-20(24)13-26-21(25)17-5-3-16(4-6-17)14-27-19-9-7-18(22)8-10-19/h3-10,15H,11-14H2,1-2H3,(H,23,24)