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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

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