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Propanoic acid, 2-[3-(3-cyano-4-ethyl-5-methyl-2-thienyl)ureido]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)-, ethyl ester
SpectraBase Compound ID 3y4KceQ949R
InChI InChI=1S/C16H17F6N3O4S/c1-4-9-8(3)30-11(10(9)6-23)24-13(27)25-15(16(20,21)22,12(26)28-5-2)29-7-14(17,18)19/h4-5,7H2,1-3H3,(H2,24,25,27)
InChIKey CLGHYZNFYQPLQV-UHFFFAOYSA-N
Mol Weight 461.38 g/mol
Molecular Formula C16H17F6N3O4S
Exact Mass 461.084396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhLnq90duHY
Name Propanoic acid, 2-[3-(3-cyano-4-ethyl-5-methyl-2-thienyl)ureido]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F6N3O4S
InChI InChI=1S/C16H17F6N3O4S/c1-4-9-8(3)30-11(10(9)6-23)24-13(27)25-15(16(20,21)22,12(26)28-5-2)29-7-14(17,18)19/h4-5,7H2,1-3H3,(H2,24,25,27)
InChIKey CLGHYZNFYQPLQV-UHFFFAOYSA-N
Molecular Weight 461.379 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OCC)OCC(F)(F)F)C(Nc1c(c(CC)c(s1)C)C#N)=O
SPLASH splash10-014l-2900000000-6ef7a654da9804206328
Source of Spectrum AD-0-2532-0
Synonyms 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propionic acid ethyl ester 2-[[[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-oxomethyl]amino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoic acid ethyl ester Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoylamino]-3,3,3-tris(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate Ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
Wiley ID 1419383