sodium 2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: sodium 2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: sodium 2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: sodium 2-(1-imidazolylmethyl)-3-methyl-4,5-dihydro-1-benzothiophene-6-carboxylate IUPAC Name: sodium 2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: sodium 2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydrobenzothiophene-6-carboxylate Formula: C14H13N2NaO2S MolecularWeight: 296.31999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1CCC(=C2)C(=O)[O-])CN3C=CN=C3.[Na+]

Isomeric SMILES

CC1=C(SC2=C1CCC(=C2)C(=O)[O-])CN3C=CN=C3.[Na+]

InChI

InChI=1S/C14H14N2O2S.Na/c1-9-11-3-2-10(14(17)18)6-12(11)19-13(9)7-16-5-4-15-8-16;/h4-6,8H,2-3,7H2,1H3,(H,17,18);/q;+1/p-1