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

Systemtic Name: sodium 2-(imidazol-1-ylmethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: sodium 2-(imidazol-1-ylmethyl)-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: sodium 2-(1-imidazolylmethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate IUPAC Name: sodium 2-(imidazol-1-ylmethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: sodium 2-(imidazol-1-ylmethyl)-6,7-dihydrobenzothiophene-5-carboxylate Formula: C13H11N2NaO2S MolecularWeight: 282.29341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)[O-])C=C(S2)CN3C=CN=C3.[Na+]

Isomeric SMILES

C1CC2=C(C=C1C(=O)[O-])C=C(S2)CN3C=CN=C3.[Na+]

InChI

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