EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H18N2O3S |
| Net Charge | 0 |
| Average Mass | 342.420 |
| Monoisotopic Mass | 342.10381 |
| SMILES | COC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2 |
| InChI | InChI=1S/C18H18N2O3S/c1-11-7-8-15(23-11)17-12-5-3-4-6-14(12)20-18(13(17)9-19)24-10-16(21)22-2/h7-8H,3-6,10H2,1-2H3 |
| InChIKey | JGDDLGRMLWKQSF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-cyano-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester (CHEBI:116759) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28211 | LINCS |