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

Systemtic Name: 2-[(2-imidazol-1-ylphenyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 2-[(2-imidazol-1-ylphenyl)methyl]-6,7-dihydrobenzothiophene-5-carboxylic acid CAS Name: 2-[[2-(1-imidazolyl)phenyl]methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 2-[(2-imidazol-1-ylphenyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 2-(2-imidazol-1-ylbenzyl)-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)CC3=CC=CC=C3N4C=CN=C4

Isomeric SMILES

C1CC2=C(C=C1C(=O)O)C=C(S2)CC3=CC=CC=C3N4C=CN=C4

InChI

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