Chem
J-GLOBAL ID：200907063769610083   Nikkaji number：J1.749.940H

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

2-(tert-ブチルチオ)-3-[(4-メトキシフェニル)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： C19H26F3NO3S
Molecular formula furigana： C19-H26-F3-N-O3-S
Molecular weight： 405.480
InChI： InChI=1S/C19H26F3NO3S/c1-17(2,3)26-16(24)14(27-18(4,5)6)15(19(20,21)22)23-12-8-10-13(25-7)11-9-12/h8-11,14H,1-7H3
InChI key： HYVXLVDGECYDRR-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)N=C(C(SC(C)(C)C)C(=O)OC(C)(C)C)C(F)(F)F
Systematic name  (3)：
  • 2-(tert-ブチルチオ)-3-[(4-メトキシフェニル)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)-4,4,4-トリフルオロ-3-[(4-メトキシフェニル)イミノ]ブタノアート
  • tert-butyl 2-(tert-butylsulfanyl)-4,4,4-trifluoro-3-[(4-methoxyphenyl)imino]butanoate
Other name (1)：
  • 2-(tert-Butylthio)-3-[(4-methoxyphenyl)imino]-4,4,4-trifluorobutanoic acid tert-butyl ester
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