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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H18N4O3S/c1-24-11-14-19-12-5-2-3-6-13(12)20(14)9-16(22)23-10-15(21)18-8-4-7-17/h2-3,5-6H,4,8-11H2,1H3,(H,18,21)