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

Systemtic Name: 2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate hydrochloride Openeye Name: 2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate hydrochloride CAS Name: 2-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate hydrochloride IUPAC Name: 2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate hydrochloride Traditional Name: 2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate hydrochloride Formula: C15H15ClNO2S- MolecularWeight: 308.8031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)[O-])SC(=C2)CC3=CN=CC=C3.Cl

Isomeric SMILES

C1CC2=C(CC1C(=O)[O-])SC(=C2)CC3=CN=CC=C3.Cl

InChI

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