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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=N3

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=N3

InChI

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