4-(1,3-benzodioxol-5-yl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(5,6-dimethoxybenzimidazol-1-yl)thiazole-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(5,6-dimethoxy-1-benzimidazolyl)-5-thiazolecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(5,6-dimethoxybenzimidazol-1-yl)thiazole-5-carboxylic acid Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN2C3=NC(=C(S3)C(=O)O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN2C3=NC(=C(S3)C(=O)O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C20H15N3O6S/c1-26-14-6-11-12(7-15(14)27-2)23(8-21-11)20-22-17(18(30-20)19(24)25)10-3-4-13-16(5-10)29-9-28-13/h3-8H,9H2,1-2H3,(H,24,25)