methyl 2-(3-ethanoyl-2-fluoranyl-1-methyl-4H-pyridin-4-yl)-2-methylsulfanyl-ethanoate

Systemtic Name: methyl 2-(3-ethanoyl-2-fluoranyl-1-methyl-4H-pyridin-4-yl)-2-methylsulfanyl-ethanoate Openeye Name: methyl 2-(3-acetyl-2-fluoro-1-methyl-4H-pyridin-4-yl)-2-methylsulfanyl-acetate CAS Name: 2-(3-acetyl-2-fluoro-1-methyl-4H-pyridin-4-yl)-2-(methylthio)acetic acid methyl ester IUPAC Name: methyl 2-(3-acetyl-2-fluoro-1-methyl-4H-pyridin-4-yl)-2-methylsulfanylacetate Traditional Name: 2-(3-acetyl-2-fluoro-1-methyl-4H-pyridin-4-yl)-2-(methylthio)acetic acid methyl ester Formula: C12H16FNO3S MolecularWeight: 273.323743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C=CC1C(C(=O)OC)SC)C)F

Isomeric SMILES

CC(=O)C1=C(N(C=CC1C(C(=O)OC)SC)C)F

InChI

InChI=1S/C12H16FNO3S/c1-7(15)9-8(5-6-14(2)11(9)13)10(18-4)12(16)17-3/h5-6,8,10H,1-4H3