EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28N2O5S2 |
| Net Charge | 0 |
| Average Mass | 464.609 |
| Monoisotopic Mass | 464.14396 |
| SMILES | CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCN(C(C)C)C2 |
| InChI | InChI=1S/C22H28N2O5S2/c1-4-29-22(26)20-17-10-12-24(15(2)3)14-18(17)30-21(20)23-19(25)11-13-31(27,28)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H,23,25) |
| InChIKey | PVZLSZVJARPVTO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester (CHEBI:104098) is a thienopyridine (CHEBI:37942) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15456 | LINCS |