CHEBI:116266 - 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid ethyl ester
ChEBI ID CHEBI:116266
Stars This entity has been manually annotated by a third party.
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Formula C13H14N2O3S
Net Charge 0
Average Mass 278.328
Monoisotopic Mass 278.07251
InChI InChI=1S/C13H14N2O3S/c1-4-18-12(17)7-19-13-10(6-14)5-11(9(3)16)8(2)15-13/h5H,4,7H2,1-3H3
InChIKey FBFOMFWBVIXBMA-UHFFFAOYSA-N
SMILES CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C)C
ChEBI Ontology
Outgoing 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid ethyl ester (CHEBI:116266) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
LSM-27721 LINCS
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