sodium 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate

Systemtic Name: sodium 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: sodium 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: sodium 2-(1-imidazolylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate IUPAC Name: sodium 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: sodium 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate Formula: C13H13N2NaO2S MolecularWeight: 284.30929

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)[O-])SC(=C2)CN3C=CN=C3.[Na+]

Isomeric SMILES

C1CC2=C(CC1C(=O)[O-])SC(=C2)CN3C=CN=C3.[Na+]

InChI

InChI=1S/C13H14N2O2S.Na/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15;/h3-5,8,10H,1-2,6-7H2,(H,16,17);/q;+1/p-1