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CHEBI:229506 - (S)-cybenzoxasulfyl

ChEBI IDCHEBI:229506
ChEBI Name(S)-cybenzoxasulfyl
Stars
ASCII Name(S)-cybenzoxasulfyl
DefinitionThe (S)-enantiomer of cybenzoxasulfyl.
Last Modified31 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC18H15F3N2O4S2
Net Charge0
Average Mass444.456
Monoisotopic Mass444.04253
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc([S@](=O)C(F)(F)F)ccc2o1
InChIInChI=1S/C18H15F3N2O4S2/c1-2-29(25,26)15-7-11(10-3-4-10)9-22-16(15)17-23-13-8-12(5-6-14(13)27-17)28(24)18(19,20)21/h5-10H,2-4H2,1H3/t28-/m0/s1
InChIKeyFOVXPVMLSMQSKD-NDEPHWFRSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-cybenzoxasulfyl (CHEBI:229506) is a 2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(trifluoromethyl)sulfinyl]-1,3-benzoxazole (CHEBI:229510)
(S)-cybenzoxasulfyl (CHEBI:229506) is enantiomer of (R)-cybenzoxasulfyl (CHEBI:229505)
Incoming Relation(s)
cybenzoxasulfyl (CHEBI:229504) has part (S)-cybenzoxasulfyl (CHEBI:229506)
(R)-cybenzoxasulfyl (CHEBI:229505) is enantiomer of (S)-cybenzoxasulfyl (CHEBI:229506)
IUPAC Name 
2-[5-cyclopropyl-3-(ethylsulfonyl)pyridin-2-yl]-5-[(S)-(trifluoromethyl)sulfinyl]-1,3-benzoxazole