Chem
J-GLOBAL ID：200907005294232585   Nikkaji number：J2.470.482C

(S)-2-(2-Thienylmethyl)-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid tert-butyl ester

(S)-2-(2-チエニルメチル)-3-[3,5-ビス(トリフルオロメチル)フェニル]プロパン酸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： C20H20F6O2S
Molecular formula furigana： C20-H20-F6-O2-S
Molecular weight： 438.430
InChI： InChI=1S/C20H20F6O2S/c1-18(2,3)28-17(27)13(10-16-5-4-6-29-16)7-12-8-14(19(21,22)23)11-15(9-12)20(24,25)26/h4-6,8-9,11,13H,7,10H2,1-3H3/t13-/m0/s1
InChI key： SXCBCBGVVKOHED-ZDUSSCGKSA-N
SMILES： CC(C)(C)OC(=O)[C@H](Cc1cccs1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • (S)-2-(2-チエニルメチル)-3-[3,5-ビス(トリフルオロメチル)フェニル]プロパン酸tert-ブチル
  • tert-ブチル (2S)-3-[3,5-ビス(トリフルオロメチル)フェニル]-2-[(チオフェン-2-イル)メチル]プロパノアート
  • tert-butyl (2S)-3-[3,5-bis(trifluoromethyl)phenyl]-2-[(thiophen-2-yl)methyl]propanoate
Other name (1)：
  • (S)-2-(2-Thienylmethyl)-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid tert-butyl ester
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