[4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-2-(1-methyl-2-benzimidazolyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CS4)OC)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CS4)OC)/C#N

InChI

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