EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H17N3O5S |
| Net Charge | 0 |
| Average Mass | 423.450 |
| Monoisotopic Mass | 423.08889 |
| SMILES | COC(=O)C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccc(C)cc2)c1=O |
| InChI | InChI=1S/C21H17N3O5S/c1-13-5-7-14(8-6-13)24-20(27)17(10-18(25)28-2)30-21(24)16(11-22)19(26)23-12-15-4-3-9-29-15/h3-10H,12H2,1-2H3,(H,23,26) |
| InChIKey | OVWWMYXCLRNJCT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-[1-cyano-2-(2-furanylmethylamino)-2-oxoethylidene]-3-(4-methylphenyl)-4-oxo-5-thiazolidinylidene]acetic acid methyl ester (CHEBI:123329) is a toluenes (CHEBI:27024) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34772 | LINCS |