2-(trifluoromethylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(trifluoromethylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(trifluoromethylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(trifluoromethylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(trifluoromethylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(triflylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C10H10F3NO4S2 MolecularWeight: 329.31591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C10H10F3NO4S2/c11-10(12,13)20(17,18)14-8-7(9(15)16)5-3-1-2-4-6(5)19-8/h14H,1-4H2,(H,15,16)