2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid CAS Name: 2-[[4-[[2-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-[[2-(ethylthio)-5-methylol-imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1CC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CCSC1=NC=C(N1CC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O)CO

InChI

InChI=1S/C21H22N2O4S/c1-2-28-21-22-11-17(13-24)23(21)12-15-7-9-18(10-8-15)27-14-16-5-3-4-6-19(16)20(25)26/h3-11,24H,2,12-14H2,1H3,(H,25,26)