[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C19H22N4O3S/c1-27-12-16-21-14-6-2-3-7-15(14)23(16)10-18(25)26-11-17(24)22-19(13-20)8-4-5-9-19/h2-3,6-7H,4-5,8-12H2,1H3,(H,22,24)