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

Systemtic Name: 3-methyl-2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Openeye Name: 3-methyl-2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid CAS Name: 3-methyl-2-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 3-methyl-2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Traditional Name: 3-methyl-2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1CCC(C2)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(SC2=C1CCC(C2)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C16H17NO2S/c1-10-13-5-4-12(16(18)19)8-15(13)20-14(10)7-11-3-2-6-17-9-11/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,18,19)