Chem
J-GLOBAL ID：200907047717493865   Nikkaji number：J1.136.153F

2-[(S)-1-Methyl-3-oxo-3-(tert-butylthio)propyl]malonic acid dimethyl ester

2-[(S)-1-メチル-3-オキソ-3-(tert-ブチルチオ)プロピル]マロン酸ジメチル
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： C13H22O5S
Molecular formula furigana： C13-H22-O5-S
Molecular weight： 290.370
InChI： InChI=1S/C13H22O5S/c1-8(7-9(14)19-13(2,3)4)10(11(15)17-5)12(16)18-6/h8,10H,7H2,1-6H3/t8-/m0/s1
InChI key： QPFQDEVBHHDGIO-QMMMGPOBSA-N
SMILES： COC(=O)C([C@@H](C)CC(=O)SC(C)(C)C)C(=O)OC
Systematic name  (4)：
  • 2-[(S)-1-メチル-3-オキソ-3-(tert-ブチルチオ)プロピル]マロン酸ジメチル
  • 2-[(1S)-1-メチル-3-オキソ-3-(tert-ブチルチオ)プロピル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(2S)-4-(tert-ブチルスルファニル)-4-オキソブタン-2-イル]プロパンジオアート
  • 1,3-dimethyl 2-[(2S)-4-(tert-butylsulfanyl)-4-oxobutan-2-yl]propanedioate
Other name (2)：
  • 2-[(S)-1-Methyl-3-oxo-3-(tert-butylthio)propyl]malonic acid dimethyl ester
  • 2-[(1S)-1-Methyl-3-oxo-3-(tert-butylthio)propyl]malonic acid dimethyl ester
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