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

Systemtic Name: methyl 2-[6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]ethanoate Openeye Name: methyl 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-pyridyl]acetate CAS Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]pyridin-3-yl]acetate Traditional Name: 2-[6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-pyridyl]acetic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-4-6-18-19(9-8-17(15(2)24)22(18)26)28-11-5-12-29-20-10-7-16(14-23-20)13-21(25)27-3/h7-10,14,26H,4-6,11-13H2,1-3H3