5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid

Systemtic Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid Openeye Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid CAS Name: 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarboxylic acid IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid Traditional Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-mesylbenzyl)oxy-2-thenoic acid Formula: C22H20N2O7S2 MolecularWeight: 488.5334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)O)OCC4=CC=CC=C4S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)O)OCC4=CC=CC=C4S(=O)(=O)C)OC

InChI

InChI=1S/C22H20N2O7S2/c1-29-16-8-14-15(9-17(16)30-2)24(12-23-14)20-10-18(21(32-20)22(25)26)31-11-13-6-4-5-7-19(13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H,25,26)