Chem
J-GLOBAL ID:201207088747229619   Nikkaji number:J3.106.816I

1-(tert-Butoxycarbonyl)-3β-(4-butylphenyl)-3-(phenylthio)-2,3-dihydro-1H-indole-2-one

1-(tert-ブトキシカルボニル)-3β-(4-ブチルフェニル)-3-(フェニルチオ)-2,3-ジヒドロ-1H-インドール-2-オン
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: C29H31NO3S
Molecular formula furigana: C29-H31-N-O3-S
Molecular weight: 473.630
InChI: InChI=1S/C29H31NO3S/c1-5-6-12-21-17-19-22(20-18-21)29(34-23-13-8-7-9-14-23)24-15-10-11-16-25(24)30(26(29)31)27(32)33-28(2,3)4/h7-11,13-20H,5-6,12H2,1-4H3/t29-/m1/s1
InChI key: RPLPHVMVJCCOPS-GDLZYMKVSA-N
SMILES: CCCCc1ccc(cc1)[C@]1(Sc2ccccc2)C(=O)N(C(=O)OC(C)(C)C)c2ccccc12
Systematic name  (3):
  • 1-(tert-ブトキシカルボニル)-3β-(4-ブチルフェニル)-3-(フェニルチオ)-2,3-ジヒドロ-1H-インドール-2-オン
  • tert-ブチル (3R)-3-(4-ブチルフェニル)-2-オキソ-3-(フェニルスルファニル)-2,3-ジヒドロ-1H-インドール-1-カルボキシラート
  • tert-butyl (3R)-3-(4-butylphenyl)-2-oxo-3-(phenylsulfanyl)-2,3-dihydro-1H-indole-1-carboxylate
Other name (1):
  • 1-(tert-Butoxycarbonyl)-3β-(4-butylphenyl)-3-(phenylthio)-2,3-dihydro-1H-indole-2-one
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