EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19FN2O4S |
| Net Charge | 0 |
| Average Mass | 414.458 |
| Monoisotopic Mass | 414.10496 |
| SMILES | Cc1oc(-c2ccccc2F)nc1CSCC(=O)NCc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C21H19FN2O4S/c1-13-17(24-21(28-13)15-4-2-3-5-16(15)22)10-29-11-20(25)23-9-14-6-7-18-19(8-14)27-12-26-18/h2-8H,9-12H2,1H3,(H,23,25) |
| InChIKey | CUFPFUHOCYNHNB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide (CHEBI:121502) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32945 | LINCS |