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CHEBI:190637 - 3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile

ChEBI IDCHEBI:190637
ChEBI Name3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2OS
Net Charge0
Average Mass310.422
Monoisotopic Mass310.11398
SMILESCC(C)(C)c1ccc(NC=C(C#N)C(=O)c2ccsc2)cc1
InChIInChI=1S/C18H18N2OS/c1-18(2,3)15-4-6-16(7-5-15)20-11-14(10-19)17(21)13-8-9-22-12-13/h4-9,11-12,20H,1-3H3
InChIKeyYOFGMZUBEHPWII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile (CHEBI:190637) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
3-(4-tert-butylanilino)-2-(thiophene-3-carbonyl)prop-2-enenitrile
Manual XrefsDatabases
2719095ChemSpider