EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20N2O4S |
| Net Charge | 0 |
| Average Mass | 348.424 |
| Monoisotopic Mass | 348.11438 |
| SMILES | COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(C)C1=O |
| InChI | InChI=1S/C17H20N2O4S/c1-18-16(20)15(24-17(18)21)9-11-8-14(23-3)12(10-13(11)22-2)19-6-4-5-7-19/h8-10H,4-7H2,1-3H3 |
| InChIKey | XXLXNBVPIJNYMH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene]-3-methylthiazolidine-2,4-dione (CHEBI:114466) is a pyrrolidines (CHEBI:38260) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25927 | LINCS |