[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-methoxy-phenyl] ester Formula: C22H14BrN3O3S MolecularWeight: 480.33386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OC(=O)C4=CC=CS4

InChI

InChI=1S/C22H14BrN3O3S/c1-28-18-11-13(10-15(23)20(18)29-22(27)19-7-4-8-30-19)9-14(12-24)21-25-16-5-2-3-6-17(16)26-21/h2-11H,1H3,(H,25,26)/b14-9+