Methyl 3-[2-({[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
4030
Reference
Methyl 3-[2-({[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate Structure
Systematic / IUPAC Name: Methyl 3-[2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]-2-thiophenecarboxylate
ID: Reference4030
Other Names: 2-Thiophenecarboxylic acid, 3-[2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]-, methyl ester
Formula: C24H15ClF4N2O5S
Spectral Data
Methyl 3-[2-({[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-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 | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/1/2016 3:18:30 PM |
Identificators
| InChI | InChI=1S/C24H15ClF4N2O5S/c1-11-18(20(31-36-11)19-13(25)4-3-5-14(19)26)22(32)30-15-10-12(24(27,28)29)6-7-16(15)35-17-8-9-37-21(17)23(33)34-2/h3-10H,1-2H3,(H,30,32) |
| InChI Key | XTCODBYMUXQLTJ-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)OC4=C(SC=C4)C(=O)OC |
| CAS | |
| Splash | |
| Other Names | 2-Thiophenecarboxylic acid, 3-[2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]-, methyl ester |