2-[imidazol-1-yl(phenyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid

Systemtic Name: 2-[imidazol-1-yl(phenyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 2-[imidazol-1-yl(phenyl)methyl]-6,7-dihydrobenzothiophene-5-carboxylic acid CAS Name: 2-[1-imidazolyl(phenyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 2-[imidazol-1-yl(phenyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 2-[imidazol-1-yl(phenyl)methyl]-6,7-dihydrobenzothiophene-5-carboxylic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)O)C=C(S2)C(C3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

C1CC2=C(C=C1C(=O)O)C=C(S2)C(C3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C19H16N2O2S/c22-19(23)14-6-7-16-15(10-14)11-17(24-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h1-5,8-12,18H,6-7H2,(H,22,23)