Ethyl 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)isonicotinate

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Systematic / IUPAC Name: Ethyl 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}sulfanyl)isonicotinate

ID: Reference4553

Other Names: 4-Pyridinecarboxylic acid, 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)-, ethyl ester

Formula: C21H17N3O3S2

Spectral Data

Ethyl 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)isonicotinate 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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 10:53:41 AM
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Identificators

InChI InChI=1S/C21H17N3O3S2/c1-3-27-21(26)14-11-13(2)23-20(15(14)12-22)29-17-8-5-4-7-16(17)24-19(25)18-9-6-10-28-18/h4-11H,3H2,1-2H3,(H,24,25)
InChI Key XMZGMRABNWGIRL-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)C3=CC=CS3)C
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Other Names 4-Pyridinecarboxylic acid, 3-cyano-6-methyl-2-({2-[(2-thienylcarbonyl)amino]phenyl}thio)-, ethyl ester

In Other Databases

PubChem 2746311
ChemSpider 2027785