For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

benzo[b]thiophene-3-carboxylic acid, 2-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1(4H)-pyridinyl)-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzo[b]thiophene-3-carboxylic acid, 2-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1(4H)-pyridinyl)-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID CsUPspf20Oh
InChI InChI=1S/C19H17F6N3O2S/c1-9-7-17(18(20,21)22,19(23,24)25)11(8-26)14(27)28(9)15-13(16(29)30-2)10-5-3-4-6-12(10)31-15/h7H,3-6,27H2,1-2H3
InChIKey OIINQGQBVHQFQI-UHFFFAOYSA-N
Mol Weight 465.41 g/mol
Molecular Formula C19H17F6N3O2S
Exact Mass 465.094567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IJocrkbUiBf
Name 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F6N3O2S
InChI InChI=1S/C19H17F6N3O2S/c1-9-7-17(18(20,21)22,19(23,24)25)11(8-26)14(27)28(9)15-13(16(29)30-2)10-5-3-4-6-12(10)31-15/h7H,3-6,27H2,1-2H3
InChIKey OIINQGQBVHQFQI-UHFFFAOYSA-N
Molecular Weight 465.414 g/mol
SMILES NC1=C(C(C=C(N1c1sc2c(CCCC2)c1C(OC)=O)C)(C(F)(F)F)C(F)(F)F)C#N
SPLASH splash10-0002-5419000000-72200cc2cca574d88a35
Synonyms 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[2-azanyl-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1446831