5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid

Systemtic Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid Openeye Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid CAS Name: 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(4-methylsulfonylphenyl)methoxy]-2-thiophenecarboxylic acid IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxylic acid Traditional Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(4-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=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)O)OCC4=CC=C(C=C4)S(=O)(=O)C)OC

InChI

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