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Tiafenacil

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For Research Use Only | Not For Clinical Use
CATAPS1220411299
CAS1220411-29-9
SynonymsTiafenacil,β-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl ester
IUPAC Namemethyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanylpropanoylamino]propanoate
Molecular Weight511.87
Molecular FormulaC19H18ClF4N3O5S
Canonical SMILESCOC(=O)CCNC(=O)C(C)Sc1cc(N2C(=O)C=C(N(C)C2=O)C(F)(F)F)c(F)cc1Cl
InChIInChI=1S/C19H18ClF4N3O5S/c1-9(17(30)25-5-4-16(29)32-3)33-13-7-12(11(21)6-10(13)20)27-15(28)8-14(19(22,23)24)26(2)18(27)31/h6-9H,4-5H2,1-3H3,(H,25,30)
Accurate Mass511.0592
FormatNeat
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