[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H24N4O3S/c1-2-11-24-16-8-4-3-7-15(16)22-19(24)28-13-18(26)27-12-17(25)23-20(14-21)9-5-6-10-20/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,23,25)