CHEBI:117108 - 4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester
ChEBI ID CHEBI:117108
Stars This entity has been manually annotated by a third party.
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Formula C15H16N2O3S
Net Charge 0
Average Mass 304.366
Monoisotopic Mass 304.08816
InChI InChI=1S/C15H16N2O3S/c1-2-20-14(19)7-12(18)9-21-15-11(8-16)6-10-4-3-5-13(10)17-15/h6H,2-5,7,9H2,1H3
InChIKey HVLNOCYDURSSHZ-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)CSC1=NC2=C(CCC2)C=C1C#N
ChEBI Ontology
Outgoing 4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester (CHEBI:117108) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
LSM-28555 LINCS
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