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CHEBI:145510 - (S)-tolpyralate

ChEBI IDCHEBI:145510
ChEBI Name(S)-tolpyralate
Stars
ASCII Name(S)-tolpyralate
DefinitionA 1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate that has S-configuration.
Last Modified26 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC21H28N2O9S
Net Charge0
Average Mass484.527
Monoisotopic Mass484.15155
SMILESCCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(OCCOC)c2C)c1O[C@H](C)OC(=O)OC
InChIInChI=1S/C21H28N2O9S/c1-7-23-20(31-14(3)32-21(25)29-5)16(12-22-23)18(24)15-8-9-17(33(6,26)27)19(13(15)2)30-11-10-28-4/h8-9,12,14H,7,10-11H2,1-6H3/t14-/m0/s1
InChIKeyGHLCSCRDVVEUQD-AWEZNQCLSA-N
Roles Classification
Application:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
ChEBI Ontology
Outgoing Relation(s)
(S)-tolpyralate (CHEBI:145510) has role proherbicide (CHEBI:136646)
(S)-tolpyralate (CHEBI:145510) is a 1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate (CHEBI:145511)
(S)-tolpyralate (CHEBI:145510) is enantiomer of (R)-tolpyralate (CHEBI:145509)
Incoming Relation(s)
tolpyralate (CHEBI:145506) has part (S)-tolpyralate (CHEBI:145510)
(R)-tolpyralate (CHEBI:145509) is enantiomer of (S)-tolpyralate (CHEBI:145510)
IUPAC Name 
(1S)-1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate