Chem
J-GLOBAL ID：200907023599543511   Nikkaji number：J1.749.941F

2-(tert-Butylthio)-3-[(4-chlorophenyl)imino]-4,4,4-trifluorobutanoic acid tert-butyl ester

2-(tert-ブチルチオ)-3-[(4-クロロフェニル)イミノ]-4,4,4-トリフルオロブタン酸tert-ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H23ClF3NO2S
Molecular formula furigana： C18-H23-CL-F3-N-O2-S
Molecular weight： 409.890
InChI： InChI=1S/C18H23ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13H,1-6H3
InChI key： NMHAUCSTQMBPQS-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)C(SC(C)(C)C)C(=Nc1ccc(Cl)cc1)C(F)(F)F
Systematic name  (3)：
  • 2-(tert-ブチルチオ)-3-[(4-クロロフェニル)イミノ]-4,4,4-トリフルオロブタン酸tert-ブチル
  • tert-ブチル 2-(tert-ブチルスルファニル)-3-[(4-クロロフェニル)イミノ]-4,4,4-トリフルオロブタノアート
  • tert-butyl 2-(tert-butylsulfanyl)-3-[(4-chlorophenyl)imino]-4,4,4-trifluorobutanoate
Other name (1)：
  • 2-(tert-Butylthio)-3-[(4-chlorophenyl)imino]-4,4,4-trifluorobutanoic acid tert-butyl ester
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