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2-[[1,1,1,3,3,3-hexafluoro-2-[[oxo(3-pyridinyl)methyl]amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID FKWgxkE7sRn
InChI InChI=1S/C20H19F6N3O3S/c1-32-17(31)14-12-7-3-2-4-8-13(12)33-16(14)29-18(19(21,22)23,20(24,25)26)28-15(30)11-6-5-9-27-10-11/h5-6,9-10,29H,2-4,7-8H2,1H3,(H,28,30)
InChIKey YUCJLWRFTZJYIK-UHFFFAOYSA-N
Mol Weight 495.44 g/mol
Molecular Formula C20H19F6N3O3S
Exact Mass 495.105132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cemgI9jCWF
Name 2-[[1,1,1,3,3,3-hexafluoro-2-[[oxo(3-pyridinyl)methyl]amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
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Formula C20H19F6N3O3S
InChI InChI=1S/C20H19F6N3O3S/c1-32-17(31)14-12-7-3-2-4-8-13(12)33-16(14)29-18(19(21,22)23,20(24,25)26)28-15(30)11-6-5-9-27-10-11/h5-6,9-10,29H,2-4,7-8H2,1H3,(H,28,30)
InChIKey YUCJLWRFTZJYIK-UHFFFAOYSA-N
Molecular Weight 495.440 g/mol
SMILES N(c1c(c2CCCCCc2s1)C(=O)OC)C(NC(c1cnccc1)=O)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0pdi-8911000000-1e92aa33a2a458884dcc
Synonyms 2-[[2,2,2-trifluoro-1-nicotinamido-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(pyridine-3-carbonylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-(pyridine-3-carbonylamino)-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Wiley ID 1454189