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

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

ID: Reference5571

Other Names: N-[2-Ethoxycarbonyl-4,4,4-trifluoro-1-(furan-2-yl)-3-oxobutyl]carbamimidothioic acid ;
2-Furanpropanoic acid, β-[(aminothioxomethyl)amino]-α-(2,2,2-trifluoroacetyl), ethyl ester

Formula: C12H13F3N2O4S

Spectral Data

Ethyl 4,4,4-trifluoro-3-oxo-2-(1-fur-2-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 9/12/2016 11:41:47 AM
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Identificators

InChI InChI=1S/C12H13F3N2O4S/c1-2-20-10(19)7(9(18)12(13,14)15)8(17-11(16)22)6-4-3-5-21-6/h3-5,7-8H,2H2,1H3,(H3,16,17,22)
InChI Key RPMNTZWNIIXROH-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C(C(C1=CC=CO1)NC(=S)N)C(=O)C(F)(F)F
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Other Names N-[2-Ethoxycarbonyl-4,4,4-trifluoro-1-(furan-2-yl)-3-oxobutyl]carbamimidothioic acid ;
2-Furanpropanoic acid, β-[(aminothioxomethyl)amino]-α-(2,2,2-trifluoroacetyl), ethyl ester

In Other Databases

PubChem 2801471
ChemSpider 2080181