CHEBI:83270 - (S)-oxathiapiprolin

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ChEBI Name (S)-oxathiapiprolin
ChEBI ID CHEBI:83270
ChEBI ASCII Name (S)-oxathiapiprolin
Definition A 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone that has S configuration at position 5 of the 4,5-dihydro-1,2-oxazole ring.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H22F5N5O2S
Net Charge 0
Average Mass 539.52100
Monoisotopic Mass 539.14144
InChI InChI=1S/C24H22F5N5O2S/c1-13-9-20(24(27,28)29)31-34(13)11-21(35)33-7-5-14(6-8-33)23-30-18(12-37-23)17-10-19(36-32-17)22-15(25)3-2-4-16(22)26/h2-4,9,12,14,19H,5-8,10-11H2,1H3/t19-/m0/s1
InChIKey IAQLCKZJGNTRDO-IBGZPJMESA-N
SMILES Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NO[C@@H](C1)c1c(F)cccc1F)C(F)(F)F
ChEBI Ontology
Outgoing (S)-oxathiapiprolin (CHEBI:83270) is a 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone (CHEBI:83271)
(S)-oxathiapiprolin (CHEBI:83270) is enantiomer of (R)-oxathiapiprolin (CHEBI:83269)
Incoming oxathiapiprolin (CHEBI:83268) has part (S)-oxathiapiprolin (CHEBI:83270)
(R)-oxathiapiprolin (CHEBI:83269) is enantiomer of (S)-oxathiapiprolin (CHEBI:83270)
IUPAC Name
1-(4-{4-[(5S)-5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
Last Modified
10 October 2014