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Propanoic acid, 2-(3-chlorobenzoylamino)-2-(4,5,6,7-tetrahydro-6-tert-butyl-3-cyano-2-benzothienylamino)-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID 9wwe0ZcC8ww
InChI InChI=1S/C25H27ClF3N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-7-6-8-16(26)11-14)32-21-18(13-30)17-10-9-15(23(2,3)4)12-19(17)36-21/h6-8,11,15,32H,5,9-10,12H2,1-4H3,(H,31,33)
InChIKey YCQSUDSCCJQALK-UHFFFAOYSA-N
Mol Weight 542.02 g/mol
Molecular Formula C25H27ClF3N3O3S
Exact Mass 541.141375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEBYqCcakzD
Name Propanoic acid, 2-(3-chlorobenzoylamino)-2-(4,5,6,7-tetrahydro-6-tert-butyl-3-cyano-2-benzothienylamino)-3,3,3-trifluoro-, ethyl ester
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Formula C25H27ClF3N3O3S
InChI InChI=1S/C25H27ClF3N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-7-6-8-16(26)11-14)32-21-18(13-30)17-10-9-15(23(2,3)4)12-19(17)36-21/h6-8,11,15,32H,5,9-10,12H2,1-4H3,(H,31,33)
InChIKey YCQSUDSCCJQALK-UHFFFAOYSA-N
Molecular Weight 542.017 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C(C)(C)C)C#N)C(NC(c1cc(Cl)ccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH splash10-000i-6924000000-b7efc4d6daacf164b0ef
Synonyms 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[[(3-chlorophenyl)-oxomethyl]amino]-3,3,3-trifluoropropanoic acid ethyl ester 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid ethyl ester Ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(3-chlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)propanoate Ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-propanoate
Wiley ID 1457688