2-[2-methyl-4-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[[4-(2-pyridylmethoxy)phenyl]methylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[4-(2-pyridinylmethoxy)phenyl]methylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[4-(2-pyridylmethoxy)benzyl]thio]phenoxy]acetic acid Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=N3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=N3)OCC(=O)O

InChI

InChI=1S/C22H21NO4S/c1-16-12-20(9-10-21(16)27-14-22(24)25)28-15-17-5-7-19(8-6-17)26-13-18-4-2-3-11-23-18/h2-12H,13-15H2,1H3,(H,24,25)