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Methyl 2-([2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl]amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID KVaIXaTT8e5
InChI InChI=1S/C15H16F6N2O3S/c1-3-9(24)22-13(14(16,17)18,15(19,20)21)23-11-10(12(25)26-2)7-5-4-6-8(7)27-11/h23H,3-6H2,1-2H3,(H,22,24)
InChIKey KFSBSKDBWVRQCU-UHFFFAOYSA-N
Mol Weight 418.35 g/mol
Molecular Formula C15H16F6N2O3S
Exact Mass 418.078583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KvYH26NLB9
Name Methyl 2-([2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl]amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Registry Number 299922-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16F6N2O3S
InChI InChI=1S/C15H16F6N2O3S/c1-3-9(24)22-13(14(16,17)18,15(19,20)21)23-11-10(12(25)26-2)7-5-4-6-8(7)27-11/h23H,3-6H2,1-2H3,(H,22,24)
InChIKey KFSBSKDBWVRQCU-UHFFFAOYSA-N
Molecular Weight 418.354 g/mol
SMILES N(c1c(c2CCCc2s1)C(=O)OC)C(C(F)(F)F)(C(F)(F)F)NC(=O)CC
SPLASH splash10-0cdj-9833000000-044b227c3f60ebb46de2
Source of Spectrum AD-0-2532-0
Synonyms 2-[[1,1,1,3,3,3-hexafluoro-2-(1-oxopropylamino)propan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester 2-[[2,2,2-trifluoro-1-propionamido-1-(trifluoromethyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester Methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(propanoylamino)propan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(propanoylamino)propan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Wiley ID 1419111