Chem
J-GLOBAL ID:200907051367807290   Nikkaji number:J1.442.832A

2β-(Ethoxycarbonothioylthio)-3α-(cyanomethyl)cyclobutane-1,1-dicarboxylic acid dimethyl ester

2β-(エトキシカルボノチオイルチオ)-3α-(シアノメチル)シクロブタン-1,1-ジカルボン酸ジメチル
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: C13H17NO5S2
Molecular formula furigana: C13-H17-N-O5-S2
Molecular weight: 331.400
InChI: InChI=1S/C13H17NO5S2/c1-4-19-12(20)21-9-8(5-6-14)7-13(9,10(15)17-2)11(16)18-3/h8-9H,4-5,7H2,1-3H3/t8-,9+/m1/s1
InChI key: ANUXMZVAXLZRGK-BDAKNGLRSA-N
SMILES: CCOC(=S)S[C@H]1[C@H](CC#N)CC1(C(=O)OC)C(=O)OC
Systematic name  (3):
  • 2β-(エトキシカルボノチオイルチオ)-3α-(シアノメチル)シクロブタン-1,1-ジカルボン酸ジメチル
  • 1,1-ジメチル (2S,3S)-3-(シアノメチル)-2-[(エトキシメタンチオイル)スルファニル]シクロブタン-1,1-ジカルボキシラート
  • 1,1-dimethyl (2S,3S)-3-(cyanomethyl)-2-[(ethoxymethanethioyl)sulfanyl]cyclobutane-1,1-dicarboxylate
Other name (1):
  • 2β-(Ethoxycarbonothioylthio)-3α-(cyanomethyl)cyclobutane-1,1-dicarboxylic acid dimethyl ester
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