Ethyl 2-methyl-5-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylate
6009
Reference
Ethyl 2-methyl-5-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylate Structure
Systematic / IUPAC Name: Ethyl 2-methyl-5-{2-[2-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl}-1,3-thiazole-4-carboxylate
ID: Reference6009
Other Names: 4-Thiazolecarboxylic acid, 2-methyl-5-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazol-5-yl)-, ethyl ester
Formula: C17H14F3N3O4S2
Spectral Data
Ethyl 2-methyl-5-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/16/2016 2:41:21 PM |
Identificators
| InChI | InChI=1S/C17H14F3N3O4S2/c1-3-27-16(24)14-15(28-10(2)22-14)12-8-9-21-23(12)29(25,26)13-7-5-4-6-11(13)17(18,19)20/h4-9H,3H2,1-2H3 |
| InChI Key | LRONKEKIVVEMDE-UHFFFAOYSA-N |
| Canonical SMILES | CCOC(=O)C1=C(SC(=N1)C)C2=CC=NN2S(=O)(=O)C3=CC=CC=C3C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | 4-Thiazolecarboxylic acid, 2-methyl-5-(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazol-5-yl)-, ethyl ester |
In Other Databases
| ChEMBL | CHEMBL1516777 |
| ChemSpider | 2026924 |
| PubChem | 2745443 |