6-(imidazol-1-ylmethyl)-4-oxidanyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 6-(imidazol-1-ylmethyl)-4-oxidanyl-1-benzothiophene-2-carboxylic acid Openeye Name: 4-hydroxy-6-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-hydroxy-6-(1-imidazolylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-hydroxy-6-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-hydroxy-6-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC2=CC(=C3C=C(SC3=C2)C(=O)O)O

Isomeric SMILES

C1=CN(C=N1)CC2=CC(=C3C=C(SC3=C2)C(=O)O)O

InChI

InChI=1S/C13H10N2O3S/c16-10-3-8(6-15-2-1-14-7-15)4-11-9(10)5-12(19-11)13(17)18/h1-5,7,16H,6H2,(H,17,18)