[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20ClN3O4S/c1-30-10-9-18(25-20(27)14-5-3-2-4-6-14)21(28)29-13-19(26)24-16-8-7-15(12-23)17(22)11-16/h2-8,11,18H,9-10,13H2,1H3,(H,24,26)(H,25,27)