| SpectraBase Spectrum ID |
8PbxzsXk5yu |
| Name |
Butanedioic acid, [[2-(trifluoromethyl)-4-quinazolinyl]thio]-, dimethyl ester |
| CAS Registry Number |
95616-46-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13F3N2O4S |
| InChI |
InChI=1S/C15H13F3N2O4S/c1-23-11(21)7-10(13(22)24-2)25-12-8-5-3-4-6-9(8)19-14(20-12)15(16,17)18/h3-6,10H,7H2,1-2H3 |
| InChIKey |
QCTVCZHJCADTGT-UHFFFAOYSA-N |
| Molecular Weight |
374.334 g/mol |
| SMILES |
c1(nc(C(F)(F)F)nc2c1cccc2)SC(CC(=O)OC)C(=O)OC |
| SPLASH |
splash10-001i-0093000000-bf90d1958e3cc8b4ee3c |
| Source of Spectrum |
J-50-1674-6 |
| Synonyms |
Dimethyl 2-{[2-(trifluoromethyl)-4-quinazolinyl]sulfanyl}succinate
Methyl 3-[(2-(trifluoromethyl)quinazolin-4-yl)thio]-3-(methoxycarbonyl)propionate |
| Wiley ID |
1356349 |
![Butanedioic acid, [[2-(trifluoromethyl)-4-quinazolinyl]thio]-, dimethyl ester](/api/spectrum/8PbxzsXk5yu/structure.png?h=300&w=458 "Butanedioic acid, [[2-(trifluoromethyl)-4-quinazolinyl]thio]-, dimethyl ester")
