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

Systemtic Name: methyl 2-[2-fluoranyl-3-methanoyl-1-(phenylmethyl)-4H-pyridin-4-yl]-2-methylsulfanyl-butanoate Openeye Name: methyl 2-(1-benzyl-2-fluoro-3-formyl-4H-pyridin-4-yl)-2-methylsulfanyl-butanoate CAS Name: 2-[2-fluoro-3-formyl-1-(phenylmethyl)-4H-pyridin-4-yl]-2-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1-benzyl-2-fluoro-3-formyl-4H-pyridin-4-yl)-2-methylsulfanylbutanoate Traditional Name: 2-(1-benzyl-2-fluoro-3-formyl-4H-pyridin-4-yl)-2-(methylthio)butyric acid methyl ester Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO3S/c1-4-19(25-3,18(23)24-2)16-10-11-21(17(20)15(16)13-22)12-14-8-6-5-7-9-14/h5-11,13,16H,4,12H2,1-3H3