sodium 2-(1H-imidazol-2-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: sodium 2-(1H-imidazol-2-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: sodium 2-(1H-imidazol-2-ylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: sodium 2-(1H-imidazol-2-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate IUPAC Name: sodium 2-(1H-imidazol-2-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: sodium 2-(1H-imidazol-2-ylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate Formula: C13H11N2NaO2S MolecularWeight: 282.29341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)[O-])SC(=C2)CC3=NC=CN3.[Na+]

Isomeric SMILES

C1CC2=C(C=C1C(=O)[O-])SC(=C2)CC3=NC=CN3.[Na+]

InChI

InChI=1S/C13H12N2O2S.Na/c16-13(17)9-2-1-8-5-10(18-11(8)6-9)7-12-14-3-4-15-12;/h3-6H,1-2,7H2,(H,14,15)(H,16,17);/q;+1/p-1