[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-14-10-15(2)12-17(11-14)22-19(23)13-25-20(24)4-3-9-26-18-7-5-16(21)6-8-18/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,22,23)