[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-15-9-10-18(16(2)13-15)20(24)14-27-22(26)19(11-12-28-3)23-21(25)17-7-5-4-6-8-17/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,25)