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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)C=C(S2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1CCC2=C(C1)C=C(S2)CC3=CN=CC=C3

InChI

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