EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H20N2O4S2 |
| Net Charge | 0 |
| Average Mass | 488.590 |
| Monoisotopic Mass | 488.08645 |
| SMILES | CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2C1c1cccs1 |
| InChI | InChI=1S/C26H20N2O4S2/c1-2-32-25(31)21-22(17-7-4-3-5-8-17)27-26-28(23(21)19-9-6-14-33-19)24(30)20(34-26)15-16-10-12-18(29)13-11-16/h3-15,23,29H,2H2,1H3 |
| InChIKey | GHLKYWPBYZWXMD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-hydroxyphenyl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:112364) is a cinnamate ester (CHEBI:36087) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23776 | LINCS |