Ethyl 5-cyano-6-(methylthio)-2-phenylnicotinate
4766
Reference
Ethyl 5-cyano-6-(methylthio)-2-phenylnicotinate Structure
Systematic / IUPAC Name: Ethyl 5-cyano-6-(methylsulfanyl)-2-phenylnicotinate
ID: Reference4766
Other Names: 3-Pyridinecarboxylic acid, 5-cyano-6-(methylthio)-2-phenyl-, ethyl ester
Formula: C16H14N2O2S
Spectral Data
Ethyl 5-cyano-6-(methylthio)-2-phenylnicotinate 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 | 5/10/2016 11:13:56 AM |
Identificators
| InChI | InChI=1S/C16H14N2O2S/c1-3-20-16(19)13-9-12(10-17)15(21-2)18-14(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3 |
| InChI Key | VTQCUDKZSNSMTR-UHFFFAOYSA-N |
| Canonical SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC)C2=CC=CC=C2 |
| CAS | |
| Splash | |
| Other Names | 3-Pyridinecarboxylic acid, 5-cyano-6-(methylthio)-2-phenyl-, ethyl ester |
In Other Databases
| PubChem | 2745169 |
| ChEMBL | CHEMBL1573121 |
| ChemSpider | 2026654 |