6-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-3-carboxylic acid

Systemtic Name: 6-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-3-carboxylic acid Openeye Name: 6-(imidazol-1-ylmethyl)-2-methyl-benzothiophene-3-carboxylic acid CAS Name: 6-(1-imidazolylmethyl)-2-methyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-(imidazol-1-ylmethyl)-2-methyl-benzothiophene-3-carboxylic acid Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=C(C=C2)CN3C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)CN3C=CN=C3)C(=O)O

InChI

InChI=1S/C14H12N2O2S/c1-9-13(14(17)18)11-3-2-10(6-12(11)19-9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)