[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H24ClNO4S MolecularWeight: 433.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H24ClNO4S/c1-14-8-9-15(2)17(12-14)20(25)13-28-22(27)19(10-11-29-3)24-21(26)16-6-4-5-7-18(16)23/h4-9,12,19H,10-11,13H2,1-3H3,(H,24,26)