Methyl 4-cyano-1-oxo-1H-benzo[d]pyrido[2,1-b][1,3]thiazole-3-carboxylate
3728
Reference
Methyl 4-cyano-1-oxo-1H-benzo[d]pyrido[2,1-b][1,3]thiazole-3-carboxylate Structure
Systematic / IUPAC Name: Methyl 4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate
ID: Reference3728
Other Names: 4-Cyano-1-keto-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid methyl ester
Formula: C14H8N2O3S
Spectral Data
Methyl 4-cyano-1-oxo-1H-benzo[d]pyrido[2,1-b][1,3]thiazole-3-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 | 2/5/2016 1:15:18 PM |
Identificators
| InChI | InChI=1S/C14H8N2O3S/c1-19-14(18)8-6-12(17)16-10-4-2-3-5-11(10)20-13(16)9(8)7-15/h2-6H,1H3 |
| InChI Key | SRXVPGTUSFNTOF-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC(=O)N2C3=CC=CC=C3SC2=C1C#N |
| CAS | |
| Splash | |
| Other Names | 4-Cyano-1-keto-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid methyl ester |
In Other Databases
| PubChem | 2740179 |
| ChEMBL | CHEMBL1603266 |
| ChemSpider | 2021775 |