[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H22N4O4S/c1-2-12-25-17-8-4-5-9-18(17)26(22(25)29)14-21(28)30-15-20(27)24-16-7-3-6-10-19(16)31-13-11-23/h3-10H,2,12-15H2,1H3,(H,24,27)