Chem
J-GLOBAL ID:200907048398230836   Nikkaji number:J1.951.148K

(3S)-3-(4-Methylphenylsulfinylamino)-2,2-difluorooctanoic acid ethyl ester

(3S)-3-(4-メチルフェニルスルフィニルアミノ)-2,2-ジフルオロオクタン酸エチル
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: C17H25F2NO3S
Molecular formula furigana: C17-H25-F2-N-O3-S
Molecular weight: 361.450
InChI: InChI=1S/C17H25F2NO3S/c1-4-6-7-8-15(17(18,19)16(21)23-5-2)20-24(22)14-11-9-13(3)10-12-14/h9-12,15,20H,4-8H2,1-3H3/t15-,24?/m0/s1
InChI key: BSWDLJMOWQXMFY-FZADBTJQSA-N
SMILES: CCCCC[C@H](NS(=O)c1ccc(C)cc1)C(F)(F)C(=O)OCC
Systematic name  (3):
  • (3S)-3-(4-メチルフェニルスルフィニルアミノ)-2,2-ジフルオロオクタン酸エチル
  • エチル (3S)-2,2-ジフルオロ-3-[(4-メチルベンゼンスルフィニル)アミノ]オクタノアート
  • ethyl (3S)-2,2-difluoro-3-[(4-methylbenzenesulfinyl)amino]octanoate
Other name (1):
  • (3S)-3-(4-Methylphenylsulfinylamino)-2,2-difluorooctanoic acid ethyl ester
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