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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile

ChEBI ID	CHEBI:190637

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18N2OS

Net Charge

Average Mass

310.420

Monoisotopic Mass

310.11398

InChI

InChI=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

InChIKey

YOFGMZUBEHPWII-UHFFFAOYSA-N

SMILES

S1C=C(C(=O)C(=CNC2=CC=C(C(C)(C)C)C=C2)C#N)C=C1

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in liver (BTO:0000759). See: MetaboLights Study

ChEBI Ontology
Outgoing	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