methyl 2-[3-ethanoyl-2-fluoranyl-1-(phenylmethyl)-4H-pyridin-4-yl]-2-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[3-ethanoyl-2-fluoranyl-1-(phenylmethyl)-4H-pyridin-4-yl]-2-methylsulfanyl-butanoate Openeye Name: methyl 2-(3-acetyl-1-benzyl-2-fluoro-4H-pyridin-4-yl)-2-methylsulfanyl-butanoate CAS Name: 2-[3-acetyl-2-fluoro-1-(phenylmethyl)-4H-pyridin-4-yl]-2-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(3-acetyl-1-benzyl-2-fluoro-4H-pyridin-4-yl)-2-methylsulfanylbutanoate Traditional Name: 2-(3-acetyl-1-benzyl-2-fluoro-4H-pyridin-4-yl)-2-(methylthio)butyric acid methyl ester Formula: C20H24FNO3S MolecularWeight: 377.472863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C=CN(C(=C1C(=O)C)F)CC2=CC=CC=C2)(C(=O)OC)SC

Isomeric SMILES

CCC(C1C=CN(C(=C1C(=O)C)F)CC2=CC=CC=C2)(C(=O)OC)SC

InChI

InChI=1S/C20H24FNO3S/c1-5-20(26-4,19(24)25-3)16-11-12-22(18(21)17(16)14(2)23)13-15-9-7-6-8-10-15/h6-12,16H,5,13H2,1-4H3