4-[[2-butyl-3-chloranyl-4-[3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]-2H-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-3-chloranyl-4-[3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]-2H-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-3-chloro-4-[3-hydroxy-3-oxo-2-(2-thienylmethyl)propyl]-2H-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-3-chloro-4-[3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-2H-imidazol-1-yl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-3-chloro-4-[3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-2H-imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-3-chloro-4-[3-hydroxy-3-keto-2-(2-thenyl)propyl]-4-imidazolin-1-yl]methyl]benzoic acid Formula: C23H27ClN2O4S MolecularWeight: 462.98948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1Cl)CC(CC2=CC=CS2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1N(C=C(N1Cl)CC(CC2=CC=CS2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27ClN2O4S/c1-2-3-6-21-25(14-16-7-9-17(10-8-16)22(27)28)15-19(26(21)24)12-18(23(29)30)13-20-5-4-11-31-20/h4-5,7-11,15,18,21H,2-3,6,12-14H2,1H3,(H,27,28)(H,29,30)