Chem
J-GLOBAL ID：201707000369372591   Nikkaji number：J3.597.913A

(2S)-1-(tert-Butylsulfinyl)-2β-methyl-2-(3-chloro-4-methyl-2-thienyl)-4α-(hydroxymethyl)pyrrolidine-3β-carboxylic acid methyl ester

(2S)-1-(tert-ブチルスルフィニル)-2β-メチル-2-(3-クロロ-4-メチル-2-チエニル)-4α-(ヒドロキシメチル)ピロリジン-3β-カルボン酸メチル
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： C17H26ClNO4S2
Molecular formula furigana： C17-H26-CL-N-O4-S2
Molecular weight： 407.970
InChI： InChI=1S/C17H26ClNO4S2/c1-10-9-24-14(13(10)18)17(5)12(15(21)23-6)11(8-20)7-19(17)25(22)16(2,3)4/h9,11-12,20H,7-8H2,1-6H3/t11-,12+,17-,25?/m0/s1
InChI key： ZTMGYPQOKRTWCP-PHJQXRTNSA-N
SMILES： COC(=O)[C@H]1[C@H](CO)CN(S(=O)C(C)(C)C)[C@]1(C)c1scc(C)c1Cl
Systematic name  (3)：
  • (2S)-1-(tert-ブチルスルフィニル)-2β-メチル-2-(3-クロロ-4-メチル-2-チエニル)-4α-(ヒドロキシメチル)ピロリジン-3β-カルボン酸メチル
  • メチル (2S,3S,4S)-2-(3-クロロ-4-メチルチオフェン-2-イル)-4-(ヒドロキシメチル)-2-メチル-1-(2-メチルプロパン-2-スルフィニル)ピロリジン-3-カルボキシラート
  • methyl (2S,3S,4S)-2-(3-chloro-4-methylthiophen-2-yl)-4-(hydroxymethyl)-2-methyl-1-(2-methylpropane-2-sulfinyl)pyrrolidine-3-carboxylate
Other name (1)：
  • (2S)-1-(tert-Butylsulfinyl)-2β-methyl-2-(3-chloro-4-methyl-2-thienyl)-4α-(hydroxymethyl)pyrrolidine-3β-carboxylic acid methyl ester
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