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Methyl 2-([2,2,2-trifluoro-1-(isonicotinoylamino)-1-(trifluoromethyl)ethyl]amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 2-([2,2,2-trifluoro-1-(isonicotinoylamino)-1-(trifluoromethyl)ethyl]amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID GDgUINJZJgh
InChI InChI=1S/C20H19F6N3O3S/c1-32-17(31)14-12-5-3-2-4-6-13(12)33-16(14)29-18(19(21,22)23,20(24,25)26)28-15(30)11-7-9-27-10-8-11/h7-10,29H,2-6H2,1H3,(H,28,30)
InChIKey HPVGIGUZMWKFIY-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 4YWlkaQKLP7
Name Methyl 2-([2,2,2-trifluoro-1-(isonicotinoylamino)-1-(trifluoromethyl)ethyl]amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Alternate Name(s) 2-[[1,1,1,3,3,3-hexafluoro-2-[[oxo(pyridin-4-yl)methyl]amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester 2-[[2,2,2-trifluoro-1-isonicotinamido-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[1-(4-pyridylcarbonylamino)-2,2,2-trifluoro-1-trifluoromethylethylamino]-, methyl ester Methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(pyridine-4-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-4-ylcarbonylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Methyl 2-[[2,2,2-trifluoro-1-(pyridine-4-carbonylamino)-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Registry Number 299922-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19F6N3O3S
InChI InChI=1S/C20H19F6N3O3S/c1-32-17(31)14-12-5-3-2-4-6-13(12)33-16(14)29-18(19(21,22)23,20(24,25)26)28-15(30)11-7-9-27-10-8-11/h7-10,29H,2-6H2,1H3,(H,28,30)
InChIKey HPVGIGUZMWKFIY-UHFFFAOYSA-N
Molecular Weight 495.440 g/mol
SMILES N(c1c(c2CCCCCc2s1)C(=O)OC)C(NC(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0pdi-9811000000-54d0c028fea8a27b3ba5
Source of Spectrum AD-0-2532-0
Wiley ID 1418985