[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenyl] ester Formula: C23H17N3O3S MolecularWeight: 415.46438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CS4

InChI

InChI=1S/C23H17N3O3S/c1-2-28-20-13-15(9-10-19(20)29-23(27)21-8-5-11-30-21)12-16(14-24)22-25-17-6-3-4-7-18(17)26-22/h3-13H,2H2,1H3,(H,25,26)/b16-12+