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

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-sulfonate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-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-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dimethyl-benzimidazole-5-sulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C26H20N4O5S2 MolecularWeight: 532.5908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5S4)OC)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5S4)OC)N(C1=O)C

InChI

InChI=1S/C26H20N4O5S2/c1-29-20-10-9-18(14-21(20)30(2)26(29)31)37(32,33)35-22-11-8-16(13-23(22)34-3)12-17(15-27)25-28-19-6-4-5-7-24(19)36-25/h4-14H,1-3H3/b17-12+