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6-tert-Butyl-2-[2-(2-methylphenoxy)ethanoylamino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 7fJxwQShF3X
InChI InChI=1S/C29H31F3N2O3S/c1-17-9-5-8-12-22(17)37-16-24(35)34-27-25(19-14-13-18(28(2,3)4)15-23(19)38-27)26(36)33-21-11-7-6-10-20(21)29(30,31)32/h5-12,18H,13-16H2,1-4H3,(H,33,36)(H,34,35)
InChIKey JEINFAYVCZHEMO-UHFFFAOYSA-N
Mol Weight 544.63 g/mol
Molecular Formula C29H31F3N2O3S
Exact Mass 544.200749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYvQI8TNZBv
Name 6-tert-Butyl-2-[2-(2-methylphenoxy)ethanoylamino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31F3N2O3S
InChI InChI=1S/C29H31F3N2O3S/c1-17-9-5-8-12-22(17)37-16-24(35)34-27-25(19-14-13-18(28(2,3)4)15-23(19)38-27)26(36)33-21-11-7-6-10-20(21)29(30,31)32/h5-12,18H,13-16H2,1-4H3,(H,33,36)(H,34,35)
InChIKey JEINFAYVCZHEMO-UHFFFAOYSA-N
Molecular Weight 544.633 g/mol
SMILES N(c1c(C(Nc2c(C(F)(F)F)cccc2)=O)c2c(s1)CC(CC2)C(C)(C)C)C(=O)COc1c(C)cccc1
SPLASH splash10-002f-9760000000-4d583c2b70a9b9f9e0b2
Synonyms 6-tert-Butyl-2-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 6-tert-Butyl-2-[[2-(2-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 6-tert-Butyl-2-[[2-(2-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 6-tert-Butyl-2-{[(2-methylphenoxy)acetyl]amino}-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Wiley ID 1458812