Ethyl 5-cyano-6-mercapto-2-methylnicotinate

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Systematic / IUPAC Name: Ethyl 5-cyano-2-methyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate

ID: Reference7087

Other Names: Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate;
Ethyl 5-cyano-2-methyl-6-sulfanylpyridine-3-carboxylate;
3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-6-thioxo-, ethyl ester

Formula: C10H10N2O2S

Spectral Data

Ethyl 5-cyano-6-mercapto-2-methylnicotinate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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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 11/27/2017 10:08:08 AM
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Identificators

InChI InChI=1S/C10H10N2O2S/c1-3-14-10(13)8-4-7(5-11)9(15)12-6(8)2/h4H,3H2,1-2H3,(H,12,15)
InChI Key YMUNSRSFLNLDAF-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(NC(=S)C(=C1)C#N)C
CAS 113858905
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Other Names Ethyl 5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate;
Ethyl 5-cyano-2-methyl-6-sulfanylpyridine-3-carboxylate;
3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-6-thioxo-, ethyl ester

In Other Databases

ChemSpider 629626
ChEMBL CHEMBL1540818
PubChem 721260
ChEBI CHEBI:112680