EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H16ClNO2S |
| Net Charge | 0 |
| Average Mass | 321.829 |
| Monoisotopic Mass | 321.05903 |
| SMILES | COC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1 |
| InChI | InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3 |
| InChIKey | GKTWGGQPFAXNFI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester (CHEBI:103977) is a α-amino acid ester (CHEBI:46874) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15331 | LINCS |