Ethyl 5-{2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazino}-3-methylisothiazole-4-carboxylate

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Systematic / IUPAC Name: Ethyl 5-{(2E)-2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazino}-3-methyl-1,2-thiazole-4-carboxylate

ID: Reference5620

Other Names: 4-Isothiazolecarboxylic acid, 5-{(2E)-2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazinyl}-3-methyl-, ethyl ester

Formula: C16H13ClN4O3S

Spectral Data

Ethyl 5-{2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazino}-3-methylisothiazole-4-carboxylate 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 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/14/2016 11:45:38 AM
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Identificators

InChI InChI=1S/C16H13ClN4O3S/c1-3-24-16(23)13-9(2)21-25-15(13)20-19-12(8-18)14(22)10-4-6-11(17)7-5-10/h4-7,20H,3H2,1-2H3/b19-12+
InChI Key YRCXOGPQNKSUJF-XDHOZWIPSA-N
Canonical SMILES CCOC(=O)C1=C(SN=C1C)NN=C(C#N)C(=O)C2=CC=C(C=C2)Cl
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Other Names 4-Isothiazolecarboxylic acid, 5-{(2E)-2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazinyl}-3-methyl-, ethyl ester

In Other Databases

ChemSpider 4900303
PubChem 6374032