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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)C=C(S2)CC3=CN=CC=C3

Isomeric SMILES

C1CC2=C(CC1C(=O)O)C=C(S2)CC3=CN=CC=C3

InChI

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