EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133785 - (S)-mefenpyr-diethyl

ChEBI IDCHEBI:133785
ChEBI Name(S)-mefenpyr-diethyl
Stars
ASCII Name(S)-mefenpyr-diethyl
DefinitionA diester that is (S)-mefenpyr in which both of the carboxy groups have undergone formal esterification with ethanol.
Last Modified17 October 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H18Cl2N2O4
Net Charge0
Average Mass373.236
Monoisotopic Mass372.06436
SMILESCCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)[C@](C)(C(=O)OCC)C1
InChIInChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3/t16-/m0/s1
InChIKeyOPGCOAPTHCZZIW-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-mefenpyr-diethyl (CHEBI:133785) has functional parent (S)-mefenpyr (CHEBI:133766)
(S)-mefenpyr-diethyl (CHEBI:133785) is a dichlorobenzene (CHEBI:23697)
(S)-mefenpyr-diethyl (CHEBI:133785) is a diester (CHEBI:51307)
(S)-mefenpyr-diethyl (CHEBI:133785) is a ethyl ester (CHEBI:23990)
(S)-mefenpyr-diethyl (CHEBI:133785) is a pyrazoles (CHEBI:26410)
(S)-mefenpyr-diethyl (CHEBI:133785) is enantiomer of (R)-mefenpyr-diethyl (CHEBI:133784)
Incoming Relation(s)
mefenpyr-diethyl (CHEBI:133786) has part (S)-mefenpyr-diethyl (CHEBI:133785)
(R)-mefenpyr-diethyl (CHEBI:133784) is enantiomer of (S)-mefenpyr-diethyl (CHEBI:133785)
IUPAC Name 
diethyl (5S)-1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate