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CHEBI:167829 - Ethyl 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)isonicotinate

ChEBI IDCHEBI:167829
ChEBI NameEthyl 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)isonicotinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H17N3O3S2
Net Charge0
Average Mass423.519
Monoisotopic Mass423.07113
SMILESCCOC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C21H17N3O3S2/c1-3-27-21(26)14-11-13(2)23-20(15(14)12-22)29-17-8-5-4-7-16(17)24-19(25)18-9-6-10-28-18/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyXMZGMRABNWGIRL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Ethyl 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)isonicotinate (CHEBI:167829) is a aromatic amide (CHEBI:62733)
IUPAC Name 
ethyl 3-cyano-6-methyl-2-[2-(thiophene-2-carbonylamino)phenyl]sulanylpyridine-4-carboxylate
Manual XrefsDatabases
2027785ChemSpider