3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethylbenzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-6-carbethoxy-2-(3,3-dicyanoprop-2-enylidene)-3-ethyl-benzimidazol-1-yl]propane-1-sulfonic acid Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=C(C#N)C#N)CCCS(=O)(=O)O

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C(=O)OCC)N(/C1=C/C=C(C#N)C#N)CCCS(=O)(=O)O

InChI

InChI=1S/C20H22N4O5S/c1-3-23-17-8-7-16(20(25)29-4-2)12-18(17)24(10-5-11-30(26,27)28)19(23)9-6-15(13-21)14-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,26,27,28)/b19-9+