[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26N2O5S/c1-15(21(27)17-9-11-19(12-10-17)24-16(2)26)30-23(29)20(13-14-31-3)25-22(28)18-7-5-4-6-8-18/h4-12,15,20H,13-14H2,1-3H3,(H,24,26)(H,25,28)