Ethyl 1-{[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinecarboxylate
3535
Reference
Ethyl 1-{[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinecarboxylate Structure
Systematic / IUPAC Name: Ethyl 1-{[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinecarboxylate
ID: Reference3535
Other Names: Ethyl 1-{[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl}piperidine-3-carboxylate
Formula: C20H22N2O4S
Spectral Data
Ethyl 1-{[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinecarboxylate 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 | 2647 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/11/2016 2:24:47 PM |
Identificators
| InChI | InChI=1S/C20H22N2O4S/c1-2-25-20(24)15-4-3-8-22(11-15)19(23)16-12-27-18(21-16)14-5-6-17-13(10-14)7-9-26-17/h5-6,10,12,15H,2-4,7-9,11H2,1H3 |
| InChI Key | PGGICYAIOOLWRL-UHFFFAOYSA-N |
| Canonical SMILES | CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3=CC4=C(C=C3)OCC4 |
| CAS | |
| Splash | |
| Other Names | Ethyl 1-{[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]carbonyl}piperidine-3-carboxylate |
In Other Databases
| PubChem | 2813334 |
| ChEMBL | CHEMBL1611317 |
| ChemSpider | 2091735 |