ethyl (E)-3-(benzimidazol-1-yl)-2-cyano-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-(benzimidazol-1-yl)-2-cyano-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-(benzimidazol-1-yl)-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-3-(1-benzimidazolyl)-2-cyano-3-mercapto-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzimidazol-1-yl)-2-cyano-3-sulfanylprop-2-enoate Traditional Name: (E)-3-(benzimidazol-1-yl)-2-cyano-3-mercapto-acrylic acid ethyl ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N1C=NC2=CC=CC=C21)S)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\N1C=NC2=CC=CC=C21)/S)/C#N

InChI

InChI=1S/C13H11N3O2S/c1-2-18-13(17)9(7-14)12(19)16-8-15-10-5-3-4-6-11(10)16/h3-6,8,19H,2H2,1H3/b12-9+