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

Systemtic Name: 2-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Openeye Name: 2-[2-(3-pyridyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid CAS Name: 2-[2-(3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Traditional Name: 2-[2-(3-pyridyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)SC(=C2)CCC3=CN=CC=C3

Isomeric SMILES

C1CC2=C(CC1C(=O)O)SC(=C2)CCC3=CN=CC=C3

InChI

InChI=1S/C16H17NO2S/c18-16(19)13-5-4-12-8-14(20-15(12)9-13)6-3-11-2-1-7-17-10-11/h1-2,7-8,10,13H,3-6,9H2,(H,18,19)