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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H20N4O3S/c1-3-8-22-15-7-5-4-6-14(15)21-18(22)26-11-17(24)25-10-16(23)13(9-19)12(2)20/h4-7,13,20H,3,8,10-11H2,1-2H3/t13-/m0/s1