[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H25ClN2O4S/c1-17(2)24(29-25(31)18-8-4-3-5-9-18)26(32)33-16-23(30)28-21-10-6-7-11-22(21)34-20-14-12-19(27)13-15-20/h3-15,17,24H,16H2,1-2H3,(H,28,30)(H,29,31)