ethyl 3-[2,4-bis(fluoranyl)phenyl]-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2,4-bis(fluoranyl)phenyl]-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(2,4-difluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxo-propanoate CAS Name: 3-(2,4-difluorophenyl)-2-[2-(methylthio)-4-pyrimidinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2,4-difluorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)-3-oxopropanoate Traditional Name: 3-(2,4-difluorophenyl)-3-keto-2-[2-(methylthio)pyrimidin-4-yl]propionic acid ethyl ester Formula: C16H14F2N2O3S MolecularWeight: 352.355766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=NC=C1)SC)C(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)C(C1=NC(=NC=C1)SC)C(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C16H14F2N2O3S/c1-3-23-15(22)13(12-6-7-19-16(20-12)24-2)14(21)10-5-4-9(17)8-11(10)18/h4-8,13H,3H2,1-2H3