2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-pyridyl]acetic acid CAS Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]pyridin-3-yl]acetic acid Traditional Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-pyridyl]acetic acid Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC=C(C=C2)CC(=O)O

InChI

InChI=1S/C21H25NO5S/c1-3-5-17-18(8-7-16(14(2)23)21(17)26)27-10-4-11-28-19-9-6-15(13-22-19)12-20(24)25/h6-9,13,26H,3-5,10-12H2,1-2H3,(H,24,25)