3-[(2Z)-6-ethoxycarbonyl-3-ethyl-2-[(2E)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]benzimidazol-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-6-ethoxycarbonyl-3-ethyl-2-[(2E)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]benzimidazol-1-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-6-ethoxycarbonyl-3-ethyl-2-[(2E)-2-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)ethylidene]benzimidazol-1-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-6-ethoxycarbonyl-3-ethyl-2-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)ethylidene]-1-benzimidazolyl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-6-ethoxycarbonyl-3-ethyl-2-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]benzimidazol-1-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-6-carbethoxy-3-ethyl-2-[(2E)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)ethylidene]benzimidazol-1-yl]propane-1-sulfonate Formula: C22H26N3O6S3- MolecularWeight: 524.65334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=C3C(=O)N(C(=S)S3)CC)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C(=O)OCC)N(/C1=C\C=C\3/C(=O)N(C(=S)S3)CC)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H27N3O6S3/c1-4-23-16-9-8-15(21(27)31-6-3)14-17(16)25(12-7-13-34(28,29)30)19(23)11-10-18-20(26)24(5-2)22(32)33-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,28,29,30)/p-1/b18-10+,19-11-