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

Systemtic Name: sodium 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-yl]propane-1-sulfonate CAS Name: sodium 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethyl-1-benzimidazolyl]-1-propanesulfonate IUPAC Name: sodium 3-[(2E)-2-(3,3-dicyanoprop-2-enylidene)-6-ethoxycarbonyl-3-ethylbenzimidazol-1-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2E)-6-carbethoxy-2-(3,3-dicyanoprop-2-enylidene)-3-ethyl-benzimidazol-1-yl]propane-1-sulfonate Formula: C20H21N4NaO5S MolecularWeight: 452.45931

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C20H22N4O5S.Na/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);/q;+1/p-1/b19-9+;