Ethyl 2-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-[2-(trifluoromethyl)anilino]acrylate

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Systematic / IUPAC Name: Ethyl (2Z)-2-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-{[2-(trifluoromethyl)phenyl]amino}acrylate

ID: Reference7102

Other Names: 2-Propenoic acid, 2-cyano-3-[(2-ethoxy-2-oxoethyl)thio]-3-{[2-(trifluoromethyl)phenyl]amino}-, ethyl ester, (2Z)-

Formula: C17H17F3N2O4S

Spectral Data

Ethyl 2-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-[2-(trifluoromethyl)anilino]acrylate 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 91
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/29/2017 8:02:02 AM
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Identificators

InChI InChI=1S/C17H17F3N2O4S/c1-3-25-14(23)10-27-15(11(9-21)16(24)26-4-2)22-13-8-6-5-7-12(13)17(18,19)20/h5-8,22H,3-4,10H2,1-2H3/b15-11-
InChI Key JKXBZCRFARDOEK-PTNGSMBKSA-N
Canonical SMILES CCOC(=O)CSC(=C(C#N)C(=O)OCC)NC1=CC=CC=C1C(F)(F)F
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Other Names 2-Propenoic acid, 2-cyano-3-[(2-ethoxy-2-oxoethyl)thio]-3-{[2-(trifluoromethyl)phenyl]amino}-, ethyl ester, (2Z)-

In Other Databases

ChemSpider 2022985
PubChem 2741422