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

Systemtic Name: 3-bromanyl-2-(imidazol-1-ylmethyl)-1-benzothiophene-5-carboxylic acid Openeye Name: 3-bromo-2-(imidazol-1-ylmethyl)benzothiophene-5-carboxylic acid CAS Name: 3-bromo-2-(1-imidazolylmethyl)-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-bromo-2-(imidazol-1-ylmethyl)-1-benzothiophene-5-carboxylic acid Traditional Name: 3-bromo-2-(imidazol-1-ylmethyl)benzothiophene-5-carboxylic acid Formula: C13H9BrN2O2S MolecularWeight: 337.19176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=C(S2)CN3C=CN=C3)Br

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=C(S2)CN3C=CN=C3)Br

InChI

InChI=1S/C13H9BrN2O2S/c14-12-9-5-8(13(17)18)1-2-10(9)19-11(12)6-16-4-3-15-7-16/h1-5,7H,6H2,(H,17,18)