EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N2O4S |
| Net Charge | 0 |
| Average Mass | 308.359 |
| Monoisotopic Mass | 308.08308 |
| SMILES | CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC |
| InChI | InChI=1S/C14H16N2O4S/c1-3-19-12(17)9-21-13-15-10-7-5-6-8-11(10)16(13)14(18)20-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | QFHWKOBKNPQMBR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2-ethoxy-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid ethyl ester (CHEBI:111350) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22806 | LINCS |