2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid Openeye Name: 2-(3-pyridylmethyl)-4,5-dihydrobenzothiophene-6-carboxylic acid CAS Name: 2-(3-pyridinylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid Traditional Name: 2-(3-pyridylmethyl)-4,5-dihydrobenzothiophene-6-carboxylic acid Formula: C15H13NO2S MolecularWeight: 271.33422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)O)SC(=C2)CC3=CN=CC=C3

Isomeric SMILES

C1CC2=C(C=C1C(=O)O)SC(=C2)CC3=CN=CC=C3

InChI

InChI=1S/C15H13NO2S/c17-15(18)12-4-3-11-7-13(19-14(11)8-12)6-10-2-1-5-16-9-10/h1-2,5,7-9H,3-4,6H2,(H,17,18)