EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N2O3S2 |
| Net Charge | 0 |
| Average Mass | 324.427 |
| Monoisotopic Mass | 324.06023 |
| SMILES | CCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C |
| InChI | InChI=1S/C14H16N2O3S2/c1-4-9-6-7-10(20-9)12(17)16-14-15-8(3)11(21-14)13(18)19-5-2/h6-7H,4-5H2,1-3H3,(H,15,16,17) |
| InChIKey | YKFSPCPAAYVRLV-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:114262) is a aromatic carboxylic acid (CHEBI:33859) |
| 2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:114262) is a thiazoles (CHEBI:48901) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25722 | LINCS |