[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(1-ethylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(1-ethylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(1-ethylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(1-ethylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H18N4O3S/c1-3-21-14-7-5-4-6-13(14)20-17(21)25-10-16(23)24-9-15(22)12(8-18)11(2)19/h4-7,12,19H,3,9-10H2,1-2H3/t12-/m0/s1