3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(propylsulfonylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(propylsulfonylmethyl)benzothiophene-2-carboxylic acid Formula: C13H14O4S2 MolecularWeight: 298.37786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)CC1=C(SC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H14O4S2/c1-2-7-19(16,17)8-10-9-5-3-4-6-11(9)18-12(10)13(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)