sodium 2-(2-imidazol-1-ylethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: sodium 2-(2-imidazol-1-ylethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: sodium 2-(2-imidazol-1-ylethyl)-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: sodium 2-[2-(1-imidazolyl)ethyl]-6,7-dihydro-1-benzothiophene-5-carboxylate IUPAC Name: sodium 2-(2-imidazol-1-ylethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: sodium 2-(2-imidazol-1-ylethyl)-6,7-dihydrobenzothiophene-5-carboxylate Formula: C14H13N2NaO2S MolecularWeight: 296.31999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)[O-])C=C(S2)CCN3C=CN=C3.[Na+]

Isomeric SMILES

C1CC2=C(C=C1C(=O)[O-])C=C(S2)CCN3C=CN=C3.[Na+]

InChI

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