[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)SC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)SC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-13(2)19(24-20(26)16-9-4-5-10-17(16)22)21(27)28-12-18(25)23-14-7-6-8-15(11-14)29-3/h4-11,13,19H,12H2,1-3H3,(H,23,25)(H,24,26)