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

Systemtic Name: 3-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(1-imidazolylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C13H10N2O2S/c16-13(17)12-10(7-15-6-5-14-8-15)9-3-1-2-4-11(9)18-12/h1-6,8H,7H2,(H,16,17)