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CHEBI:94144 - 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid
| Formula | C13H11NO3S |
| Net Charge | 0 |
| Average Mass | 261.302 |
| Monoisotopic Mass | 261.04596 |
| SMILES | N#CCCSCc1ccc2oc(C(=O)O)cc2c1 |
| InChI | InChI=1S/C13H11NO3S/c14-4-1-5-18-8-9-2-3-11-10(6-9)7-12(17-11)13(15)16/h2-3,6-7H,1,5,8H2,(H,15,16) |
| InChIKey | JEPRUQPUBMTDSJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(2-cyanoethylthio)methyl]-2-benzofurancarboxylic acid (CHEBI:94144) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4757 | LINCS |