2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]pyridin-3-yl]oxyethanoic acid

Systemtic Name: 2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]pyridin-3-yl]oxyethanoic acid Openeye Name: 2-[[2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-3-pyridyl]oxy]acetic acid CAS Name: 2-[[2-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-3-pyridinyl]oxy]acetic acid IUPAC Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]pyridin-3-yl]oxyacetic acid Traditional Name: 2-[[2-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-3-pyridyl]oxy]acetic acid Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=C(C=CC=N2)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=C(C=CC=N2)OCC(=O)O

InChI

InChI=1S/C19H21NO5S/c1-3-5-15-13(7-8-14(12(2)21)18(15)24)11-26-19-16(6-4-9-20-19)25-10-17(22)23/h4,6-9,24H,3,5,10-11H2,1-2H3,(H,22,23)