ethyl 2-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3R)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(3R)-3-cyano-4-imino-2-oxopentyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-3-cyano-4-imino-2-oxopentyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(3R)-3-cyano-4-imino-2-keto-pentyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H20N4O3S/c1-4-22-15-7-6-12(17(24)25-5-2)8-14(15)21-18(22)26-10-16(23)13(9-19)11(3)20/h6-8,13,20H,4-5,10H2,1-3H3/t13-/m0/s1