EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:108013 - 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
| Formula | C18H17N3O3S |
| Net Charge | 0 |
| Average Mass | 355.419 |
| Monoisotopic Mass | 355.09906 |
| SMILES | CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)cc(C)c1C#N |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester (CHEBI:108013) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19390 | LINCS |