Ethyl 4,4,4-trifluoro-3-oxo-2-(1-thien-3-yl-1-thioureidomethyl)butyrate

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Systematic / IUPAC Name: Ethyl 2-[(carbamothioylamino)(3-thienyl)methyl]-4,4,4-trifluoro-3-oxobutanoate

ID: Reference4309

Other Names: 4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-;
4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-methyl)-3-oxo-butyric acid ethyl ester

Formula: C12H13F3N2O3S2

Spectral Data

Ethyl 4,4,4-trifluoro-3-oxo-2-(1-thien-3-yl-1-thioureidomethyl)butyrate 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 3/21/2016 10:44:19 AM
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Identificators

InChI InChI=1S/C12H13F3N2O3S2/c1-2-20-10(19)7(9(18)12(13,14)15)8(17-11(16)21)6-3-4-22-5-6/h3-5,7-8H,2H2,1H3,(H3,16,17,21)
InChI Key KJHDTGFPBYGSCW-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C(C(C1=CSC=C1)NC(=S)N)C(=O)C(F)(F)F
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Other Names 4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-;
4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-methyl)-3-oxo-butyric acid ethyl ester

In Other Databases

ChemSpider 2080180
PubChem 2801470