Chem
J-GLOBAL ID：200907064592585756   Nikkaji number：J2.423.375H

(1S)-1-[2-(Methylthio)ethyl]-5-phenyl-4,6-dioxo-1,3aα,4,5,6,6aα-hexahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester

(1S)-1-[2-(メチルチオ)エチル]-5-フェニル-4,6-ジオキソ-1,3aα,4,5,6,6aα-ヘキサヒドロピロロ[3,4-c]ピロール-1β-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： C17H18N2O4S
Molecular formula furigana： C17-H18-N2-O4-S
Molecular weight： 346.400
InChI： InChI=1S/C17H18N2O4S/c1-23-16(22)17(8-9-24-2)13-12(10-18-17)14(20)19(15(13)21)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13+,17+/m1/s1
InChI key： KDOUBRZURJMNRJ-IGCXYCKISA-N
SMILES： COC(=O)[C@@]1(CCSC)N=C[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1
Systematic name  (3)：
  • (1S)-1-[2-(メチルチオ)エチル]-5-フェニル-4,6-ジオキソ-1,3aα,4,5,6,6aα-ヘキサヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
  • メチル (1S,3aS,6aR)-1-[2-(メチルスルファニル)エチル]-4,6-ジオキソ-5-フェニル-1H,3aH,4H,5H,6H,6aH-ピロロ[3,4-c]ピロール-1-カルボキシラート
  • methyl (1S,3aS,6aR)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxo-5-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrrole-1-carboxylate
Other name (1)：
  • (1S)-1-[2-(Methylthio)ethyl]-5-phenyl-4,6-dioxo-1,3aα,4,5,6,6aα-hexahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
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