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2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID BvHvEHZzcRA
InChI InChI=1S/C23H22F3N3O3S2/c1-2-32-22(31)19-13-5-3-4-6-17(13)34-21(19)29-18(30)11-33-20-14(10-27)15(23(24,25)26)9-16(28-20)12-7-8-12/h9,12H,2-8,11H2,1H3,(H,29,30)
InChIKey UMIKUHDQCCUVIS-UHFFFAOYSA-N
Mol Weight 509.56 g/mol
Molecular Formula C23H22F3N3O3S2
Exact Mass 509.105468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVSPBY5F4GV
Name 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
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Formula C23H22F3N3O3S2
InChI InChI=1S/C23H22F3N3O3S2/c1-2-32-22(31)19-13-5-3-4-6-17(13)34-21(19)29-18(30)11-33-20-14(10-27)15(23(24,25)26)9-16(28-20)12-7-8-12/h9,12H,2-8,11H2,1H3,(H,29,30)
InChIKey UMIKUHDQCCUVIS-UHFFFAOYSA-N
Molecular Weight 509.562 g/mol
SMILES N(C(=O)CSc1nc(cc(c1C#N)C(F)(F)F)C1CC1)c1c(c2CCCCc2s1)C(OCC)=O
SPLASH splash10-0bvi-2690170000-3fc3e18f43ae0659e5b3
Wiley ID 1444930