Chem
J-GLOBAL ID:200907032983939162   Nikkaji number:J1.092.804D

2-[Ethoxy(thiocarbonyl)thio]-5-oxo-5-(4-bromophenyl)pentylcarbamic acid tert-butyl ester

2-[エトキシ(チオカルボニル)チオ]-5-オキソ-5-(4-ブロモフェニル)ペンチルカルバミド酸tert-ブチル
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: C19H26BrNO4S2
Molecular formula furigana: C19-H26-BR-N-O4-S2
Molecular weight: 476.440
InChI: InChI=1S/C19H26BrNO4S2/c1-5-24-18(26)27-15(12-21-17(23)25-19(2,3)4)10-11-16(22)13-6-8-14(20)9-7-13/h6-9,15H,5,10-12H2,1-4H3,(H,21,23)
InChI key: JWLGHXJNKLOFCI-UHFFFAOYSA-N
SMILES: CCOC(=S)SC(CCC(=O)c1ccc(Br)cc1)CNC(=O)OC(C)(C)C
Systematic name  (3):
  • 2-[エトキシ(チオカルボニル)チオ]-5-オキソ-5-(4-ブロモフェニル)ペンチルカルバミド酸tert-ブチル
  • 1-(4-ブロモフェニル)-5-{[(tert-ブトキシ)カルボニル]アミノ}-4-[(エトキシメタンチオイル)スルファニル]ペンタン-1-オン
  • 1-(4-bromophenyl)-5-{[(tert-butoxy)carbonyl]amino}-4-[(ethoxymethanethioyl)sulfanyl]pentan-1-one
Other name (1):
  • 2-[Ethoxy(thiocarbonyl)thio]-5-oxo-5-(4-bromophenyl)pentylcarbamic acid tert-butyl ester
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