CHEBI:108013 - 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester

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ChEBI Name 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
ChEBI ID CHEBI:108013
Stars This entity has been manually annotated by a third party.
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Formula C18H17N3O3S
Net Charge 0
Average Mass 355.413
Monoisotopic Mass 355.09906
InChI InChI=1S/C18H17N3O3S/c1-3-24-17(23)8-14(22)11-25-18-15(9-19)12(2)7-16(21-18)13-5-4-6-20-10-13/h4-7,10H,3,8,11H2,1-2H3
InChIKey ZGGPHJFSKBYSSY-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C)C#N
ChEBI Ontology
Outgoing 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester (CHEBI:108013) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-19390 LINCS
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