2-[4-[(6-methyl-5-oxidanylidene-2-propyl-thieno[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(6-methyl-5-oxidanylidene-2-propyl-thieno[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-methyl-5-oxo-2-propyl-thieno[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-methyl-5-oxo-2-propyl-3-thieno[3,4-d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-methyl-5-oxo-2-propylthieno[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-keto-6-methyl-2-propyl-thien[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(S(=O)C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCCC1=NC2=C(S(=O)C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C23H22N2O3S/c1-3-6-21-24-22-15(2)29(28)14-20(22)25(21)13-16-9-11-17(12-10-16)18-7-4-5-8-19(18)23(26)27/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,26,27)