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

Systemtic Name: sodium 2-(2-imidazol-1-ylethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: sodium 2-(2-imidazol-1-ylethyl)-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: sodium 2-[2-(1-imidazolyl)ethyl]-4,5-dihydro-1-benzothiophene-6-carboxylate IUPAC Name: sodium 2-(2-imidazol-1-ylethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: sodium 2-(2-imidazol-1-ylethyl)-4,5-dihydrobenzothiophene-6-carboxylate Formula: C14H13N2NaO2S MolecularWeight: 296.31999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)[O-])SC(=C2)CCN3C=CN=C3.[Na+]

Isomeric SMILES

C1CC2=C(C=C1C(=O)[O-])SC(=C2)CCN3C=CN=C3.[Na+]

InChI

InChI=1S/C14H14N2O2S.Na/c17-14(18)11-2-1-10-7-12(19-13(10)8-11)3-5-16-6-4-15-9-16;/h4,6-9H,1-3,5H2,(H,17,18);/q;+1/p-1