2-methyl-6-(2-methylsulfonyloxyethyl)-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-methyl-6-(2-methylsulfonyloxyethyl)-1-benzothiophene-3-carboxylic acid Openeye Name: 2-methyl-6-(2-methylsulfonyloxyethyl)benzothiophene-3-carboxylic acid CAS Name: 2-methyl-6-(2-methylsulfonyloxyethyl)-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-methyl-6-(2-methylsulfonyloxyethyl)-1-benzothiophene-3-carboxylic acid Traditional Name: 2-methyl-6-(2-methylsulfonyloxyethyl)benzothiophene-3-carboxylic acid Formula: C13H14O5S2 MolecularWeight: 314.37726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=C(C=C2)CCOS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)CCOS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H14O5S2/c1-8-12(13(14)15)10-4-3-9(7-11(10)19-8)5-6-18-20(2,16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)