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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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