2-(imidazol-1-ylmethyl)-3-methylsulfanyl-1-benzothiophene-5-carboxylic acid

Systemtic Name: 2-(imidazol-1-ylmethyl)-3-methylsulfanyl-1-benzothiophene-5-carboxylic acid Openeye Name: 2-(imidazol-1-ylmethyl)-3-methylsulfanyl-benzothiophene-5-carboxylic acid CAS Name: 2-(1-imidazolylmethyl)-3-(methylthio)-1-benzothiophene-5-carboxylic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-3-methylsulfanyl-1-benzothiophene-5-carboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-3-(methylthio)benzothiophene-5-carboxylic acid Formula: C14H12N2O2S2 MolecularWeight: 304.38728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

CSC1=C(SC2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C14H12N2O2S2/c1-19-13-10-6-9(14(17)18)2-3-11(10)20-12(13)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)