CHEBI:114322 - 4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylthio)-5-thiazolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylthio)-5-thiazolone
ChEBI ID CHEBI:114322
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H13NO3S2
Net Charge 0
Average Mass 295.380
Monoisotopic Mass 295.03369
InChI InChI=1S/C13H13NO3S2/c1-16-10-5-4-8(7-11(10)17-2)6-9-12(15)19-13(14-9)18-3/h4-7H,1-3H3
InChIKey MZRPHCAYDKHTAN-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)C=C2C(=O)SC(=N2)SC)OC
ChEBI Ontology
Outgoing 4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylthio)-5-thiazolone (CHEBI:114322) has functional parent α-amino acid (CHEBI:33704)
4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylthio)-5-thiazolone (CHEBI:114322) is a organonitrogen compound (CHEBI:35352)
4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylthio)-5-thiazolone (CHEBI:114322) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-25782 LINCS
View more database links