Chem
J-GLOBAL ID：200907058979033212   Nikkaji number：J1.973.748I

(3R,5Z,7E)-3-(tert-Butyldimethylsilyloxy)-4-(4-fluorophenylthio)-8-cyano-5,7-octadienoic acid ethyl ester

(3R,5Z,7E)-3-(tert-ブチルジメチルシリルオキシ)-4-(4-フルオロフェニルチオ)-8-シアノ-5,7-オクタジエン酸エチル
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： C23H32FNO3SSi
Molecular formula furigana： C23-H32-F-N-O3-S-SI
Molecular weight： 449.660
InChI： InChI=1S/C23H32FNO3SSi/c1-7-27-22(26)17-20(28-30(5,6)23(2,3)4)21(11-9-8-10-16-25)29-19-14-12-18(24)13-15-19/h8-15,20-21H,7,17H2,1-6H3/b10-8+,11-9-/t20-,21?/m1/s1
InChI key： ZRXGITQDTYYJCH-RRXIUGFFSA-N
SMILES： CCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(Sc1ccc(F)cc1)/C=C\C=C\C#N
Systematic name  (3)：
  • (3R,5Z,7E)-3-(tert-ブチルジメチルシリルオキシ)-4-(4-フルオロフェニルチオ)-8-シアノ-5,7-オクタジエン酸エチル
  • エチル (3R,5Z,7E)-3-[(tert-ブチルジメチルシリル)オキシ]-8-シアノ-4-[(4-フルオロフェニル)スルファニル]オクタ-5,7-ジエノアート
  • ethyl (3R,5Z,7E)-3-[(tert-butyldimethylsilyl)oxy]-8-cyano-4-[(4-fluorophenyl)sulfanyl]octa-5,7-dienoate
Other name (1)：
  • (3R,5Z,7E)-3-(tert-Butyldimethylsilyloxy)-4-(4-fluorophenylthio)-8-cyano-5,7-octadienoic acid ethyl ester
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