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

Systemtic Name: 3-chloranyl-6-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-chloro-6-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-chloro-6-(1-imidazolylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-chloro-6-(imidazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-chloro-6-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C13H9ClN2O2S MolecularWeight: 292.74076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN3C=CN=C3)SC(=C2Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CN3C=CN=C3)SC(=C2Cl)C(=O)O

InChI

InChI=1S/C13H9ClN2O2S/c14-11-9-2-1-8(6-16-4-3-15-7-16)5-10(9)19-12(11)13(17)18/h1-5,7H,6H2,(H,17,18)