[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl)C

InChI

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