[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C23H27NO4S/c1-15-12-17(3)19(13-16(15)2)21(25)14-28-23(27)20(10-11-29-4)24-22(26)18-8-6-5-7-9-18/h5-9,12-13,20H,10-11,14H2,1-4H3,(H,24,26)