| SpectraBase Spectrum ID |
7j6kLy5H0Zf |
| Name |
Ethyl 2-dicyanomethylene-4-cyclohexylamino-3-(4-fluorophenyl)-2,3-dihydrothiazole-5-carboxylate |
| Comments |
Edited after expert review for DOP contamination - Original record with SpectrumID 1737788 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21FN4O2S |
| InChI |
InChI=1S/C21H21FN4O2S/c1-2-28-21(27)18-19(25-16-6-4-3-5-7-16)26(17-10-8-15(22)9-11-17)20(29-18)14(12-23)13-24/h8-11,16,25H,2-7H2,1H3 |
| InChIKey |
YHBFWNMAWKDRDS-UHFFFAOYSA-N |
| Molecular Weight |
412.483 g/mol |
| SMILES |
N(C=1N(C(SC1C(=O)OCC)=C(C#N)C#N)c1ccc(cc1)F)C1CCCCC1 |
| SPLASH |
splash10-03e9-9823700000-22bf7e9689cf7ae54b49 |
| Source of Spectrum |
F-69-2465-6c |
| Synonyms |
Ethyl 4-(cyclohexylamino)-2-(dicyanomethylene)-3-(4-fluorophenyl)-2,3-dihydrothiazole-5-carboxylate |
| Wiley ID |
1821489 |
