[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-sulfonate

Systemtic Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-sulfonate Openeye Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenyl] 1,3-dimethyl-2-oxo-benzimidazole-5-sulfonate CAS Name: 1,3-dimethyl-2-oxo-5-benzimidazolesulfonic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl] 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dimethyl-benzimidazole-5-sulfonic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C27H23N5O5S MolecularWeight: 529.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)N5C)C)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)N5C)C)OC)/C#N

InChI

InChI=1S/C27H23N5O5S/c1-16-5-8-20-21(11-16)30-26(29-20)18(15-28)12-17-6-10-24(25(13-17)36-4)37-38(34,35)19-7-9-22-23(14-19)32(3)27(33)31(22)2/h5-14H,1-4H3,(H,29,30)/b18-12+