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CHEBI:228662 - 2-morpholinophenyl 2-[(4-chlorophenyl)sulfanyl]nicotinate

ChEBI IDCHEBI:228662
ChEBI Name2-morpholinophenyl 2-[(4-chlorophenyl)sulfanyl]nicotinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H19ClN2O3S
Net Charge0
Average Mass426.925
Monoisotopic Mass426.08049
SMILESO=C(Oc1ccccc1N1CCOCC1)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O3S/c23-16-7-9-17(10-8-16)29-21-18(4-3-11-24-21)22(26)28-20-6-2-1-5-19(20)25-12-14-27-15-13-25/h1-11H,12-15H2
InChIKeyVCCAIJWHOSMPGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-morpholinophenyl 2-[(4-chlorophenyl)sulfanyl]nicotinate (CHEBI:228662) is a morpholines (CHEBI:38785)
IUPAC Name 
(2-morpholin-4-ylphenyl) 2-(4-chlorophenyl)sulanylpyridine-3-carboxylate
Manual XrefsDatabases
2091475ChemSpider