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

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-15(20(26)24-18-10-8-16(14-23)9-11-18)29-22(28)19(12-13-30-2)25-21(27)17-6-4-3-5-7-17/h3-11,15,19H,12-13H2,1-2H3,(H,24,26)(H,25,27)