[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dihydrobenzimidazole-5-sulfonic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C24H17N5O5S MolecularWeight: 487.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C24H17N5O5S/c1-33-22-11-14(10-15(13-25)23-26-17-4-2-3-5-18(17)27-23)6-9-21(22)34-35(31,32)16-7-8-19-20(12-16)29-24(30)28-19/h2-12H,1H3,(H,26,27)(H2,28,29,30)/b15-10+