EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N3O4S |
| Net Charge | 0 |
| Average Mass | 385.445 |
| Monoisotopic Mass | 385.10963 |
| SMILES | CN(C)c1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1 |
| InChI | InChI=1S/C19H19N3O4S/c1-21(2)14-9-7-13(8-10-14)17-11-15(26-20-17)12-22-19(23)16-5-3-4-6-18(16)27(22,24)25/h3-10,15H,11-12H2,1-2H3 |
| InChIKey | MKWLRSLXLQYTGJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-[4-(dimethylamino)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CHEBI:108469) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19845 | LINCS |