ethyl 5-azanyl-4-cyano-3-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[(1-allylbenzimidazol-2-yl)thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C19H18N4O2S2/c1-3-9-23-15-8-6-5-7-14(15)22-19(23)26-11-13-12(10-20)17(21)27-16(13)18(24)25-4-2/h3,5-8H,1,4,9,11,21H2,2H3