EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:105432 - 4-[[[(2-methoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
| Formula | C13H17N3O4S |
| Net Charge | 0 |
| Average Mass | 311.363 |
| Monoisotopic Mass | 311.09398 |
| SMILES | CCOC(=O)c1ccc(NC(=S)NNC(=O)COC)cc1 |
| InChI | InChI=1S/C13H17N3O4S/c1-3-20-12(18)9-4-6-10(7-5-9)14-13(21)16-15-11(17)8-19-2/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,21) |
| InChIKey | SPIWIONSMQIGRJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[[(2-methoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester (CHEBI:105432) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16795 | LINCS |