2-[(6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl]-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-[(6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl]-1-benzothiophene-6-carboxylic acid Openeye Name: 2-[(6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl]benzothiophene-6-carboxylic acid CAS Name: 2-[[6-(1-imidazolyl)-1-cyclohexa-1,5-dienyl]methyl]-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-[(6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl]-1-benzothiophene-6-carboxylic acid Traditional Name: 2-[(6-imidazol-1-ylcyclohexa-1,5-dien-1-yl)methyl]benzothiophene-6-carboxylic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)CC2=CC3=C(S2)C=C(C=C3)C(=O)O)N4C=CN=C4

Isomeric SMILES

C1CC=C(C(=C1)CC2=CC3=C(S2)C=C(C=C3)C(=O)O)N4C=CN=C4

InChI

InChI=1S/C19H16N2O2S/c22-19(23)15-6-5-14-10-16(24-18(14)11-15)9-13-3-1-2-4-17(13)21-8-7-20-12-21/h3-8,10-12H,1-2,9H2,(H,22,23)