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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)SC(=C2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1CCC2=C(C1)SC(=C2)CC3=CN=CC=C3

InChI

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