sodium 6-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Systemtic Name: sodium 6-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Openeye Name: sodium 6-(thiazol-5-ylmethyl)tetralin-2-carboxylate CAS Name: sodium 6-(5-thiazolylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate IUPAC Name: sodium 6-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Traditional Name: sodium 6-(thiazol-5-ylmethyl)tetralin-2-carboxylate Formula: C15H14NNaO2S MolecularWeight: 295.33193

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)[O-])C=CC(=C2)CC3=CN=CS3.[Na+]

Isomeric SMILES

C1CC2=C(CC1C(=O)[O-])C=CC(=C2)CC3=CN=CS3.[Na+]

InChI

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