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

Systemtic Name: 2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Openeye Name: 2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid CAS Name: 2-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Traditional Name: 2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)SC(=C2)CC3=CN=CC=C3

Isomeric SMILES

C1CC2=C(CC1C(=O)O)SC(=C2)CC3=CN=CC=C3

InChI

InChI=1S/C15H15NO2S/c17-15(18)12-4-3-11-7-13(19-14(11)8-12)6-10-2-1-5-16-9-10/h1-2,5,7,9,12H,3-4,6,8H2,(H,17,18)