sodium 2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: sodium 2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: sodium 2-(3-pyridylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: sodium 2-(3-pyridinylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate IUPAC Name: sodium 2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: sodium 2-(3-pyridylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate Formula: C15H12NNaO2S MolecularWeight: 293.31605

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)[O-])SC(=C2)CC3=CN=CC=C3.[Na+]

Isomeric SMILES

C1CC2=C(C=C1C(=O)[O-])SC(=C2)CC3=CN=CC=C3.[Na+]

InChI

InChI=1S/C15H13NO2S.Na/c17-15(18)12-4-3-11-7-13(19-14(11)8-12)6-10-2-1-5-16-9-10;/h1-2,5,7-9H,3-4,6H2,(H,17,18);/q;+1/p-1