[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H20N4O3S/c1-2-19-23-15-7-3-5-9-17(15)25(19)13-21(27)28-14-20(26)24-16-8-4-6-10-18(16)29-12-11-22/h3-10H,2,12-14H2,1H3,(H,24,26)