Methyl 3-({5-[5-(trifluoromethyl)isoxazol-3-yl]-2-thienyl}sulfonyl)-1,3-thiazolane-2-carboxylate
3600
Reference
Methyl 3-({5-[5-(trifluoromethyl)isoxazol-3-yl]-2-thienyl}sulfonyl)-1,3-thiazolane-2-carboxylate Structure
Systematic / IUPAC Name: Methyl 3-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-thienyl}sulfonyl)-1,3-thiazolidine-2-carboxylate
ID: Reference3600
Other Names: 2-Thiazolidinecarboxylic acid, 3-({5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thienyl}sulfonyl)-, methyl ester
Formula: C13H11F3N2O5S3
Spectral Data
Methyl 3-({5-[5-(trifluoromethyl)isoxazol-3-yl]-2-thienyl}sulfonyl)-1,3-thiazolane-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 | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 358 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/15/2016 5:56:46 AM |
Identificators
| InChI | InChI=1S/C13H11F3N2O5S3/c1-22-12(19)11-18(4-5-24-11)26(20,21)10-3-2-8(25-10)7-6-9(23-17-7)13(14,15)16/h2-3,6,11H,4-5H2,1H3 |
| InChI Key | IYBNPZZOADHXQO-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1N(CCS1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F |
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| Splash | |
| Other Names | 2-Thiazolidinecarboxylic acid, 3-({5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thienyl}sulfonyl)-, methyl ester |