[2-[5-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[5-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[5-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-pyridyl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[5-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]pyridin-3-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[5-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-pyridyl]-2-keto-ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C)CSC2=CN=CC(=C2)C(=O)COC(=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C)CSC2=CN=CC(=C2)C(=O)COC(=O)C

InChI

InChI=1S/C23H27NO6S/c1-5-6-20-22(8-7-19(15(3)25)23(20)28)30-14(2)13-31-18-9-17(10-24-11-18)21(27)12-29-16(4)26/h7-11,14,28H,5-6,12-13H2,1-4H3