CHEBI:228777 - ethyl 2-cyano-3-[2-(methylthio)anilino]acrylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 ethyl 2-cyano-3-[2-(methylthio)anilino]acrylate
ChEBI ID CHEBI:228777
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14N2O2S
Net Charge 0
Average Mass 262.330
Monoisotopic Mass 262.07760
InChI InChI=1S/C13H14N2O2S/c1-3-17-13(16)10(8-14)9-15-11-6-4-5-7-12(11)18-2/h4-7,9,15H,3H2,1-2H3
InChIKey YGERPPOHUUISMQ-UHFFFAOYSA-N
SMILES S(C=1C(NC=C(C(OCC)=O)C#N)=CC=CC1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing ethyl 2-cyano-3-[2-(methylthio)anilino]acrylate (CHEBI:228777) is a aryl sulfide (CHEBI:35683)
IUPAC Name
ethyl 2-cyano-3-(2-methylsulanylanilino)prop-2-enoate
Manual Xref Database
2670175 ChemSpider
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