EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:105964 - 4-[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
| Formula | C15H20N2O3S |
| Net Charge | 0 |
| Average Mass | 308.403 |
| Monoisotopic Mass | 308.11946 |
| SMILES | CCOC(=O)c1ccc(NC(=S)N2CCC(O)CC2)cc1 |
| InChI | InChI=1S/C15H20N2O3S/c1-2-20-14(19)11-3-5-12(6-4-11)16-15(21)17-9-7-13(18)8-10-17/h3-6,13,18H,2,7-10H2,1H3,(H,16,21) |
| InChIKey | VEQFHXPMSLZTJD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester (CHEBI:105964) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17325 | LINCS |