Chem
J-GLOBAL ID：201007035608242960   Nikkaji number：J2.804.893I

2-(tert-Butoxycarbonyl)-4-(tosylmethyl)-1H-pyrrole-3-propanoic acid allyl ester

2-(tert-ブトキシカルボニル)-4-(トシルメチル)-1H-ピロール-3-プロパン酸アリル
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： C23H29NO6S
Molecular formula furigana： C23-H29-N-O6-S
Molecular weight： 447.550
InChI： InChI=1S/C23H29NO6S/c1-6-13-29-20(25)12-11-19-17(14-24-21(19)22(26)30-23(3,4)5)15-31(27,28)18-9-7-16(2)8-10-18/h6-10,14,24H,1,11-13,15H2,2-5H3
InChI key： LZNQFOUBUISHKS-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)Cc1c[nH]c(C(=O)OC(C)(C)C)c1CCC(=O)OCC=C
Systematic name  (3)：
  • 2-(tert-ブトキシカルボニル)-4-(トシルメチル)-1H-ピロール-3-プロパン酸アリル
  • tert-ブチル 4-[(4-メチルベンゼンスルホニル)メチル]-3-[3-オキソ-3-(プロパ-2-エン-1-イルオキシ)プロピル]-1H-ピロール-2-カルボキシラート
  • tert-butyl 4-[(4-methylbenzenesulfonyl)methyl]-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-pyrrole-2-carboxylate
Other name (1)：
  • 2-(tert-Butoxycarbonyl)-4-(tosylmethyl)-1H-pyrrole-3-propanoic acid allyl ester
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