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Propanoic acid, 2-(4-chlorobenzoylamino)-2-(4,5,6,7-tetrahydro-6-tert-butyl-3-cyano-2-benzothienylamino)-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID LKbUUNFIPY2
InChI InChI=1S/C24H25ClF3N3O3S/c1-22(2,3)14-7-10-16-17(12-29)20(35-18(16)11-14)31-23(21(33)34-4,24(26,27)28)30-19(32)13-5-8-15(25)9-6-13/h5-6,8-9,14,31H,7,10-11H2,1-4H3,(H,30,32)
InChIKey FJSHLESKBCATAY-UHFFFAOYSA-N
Mol Weight 527.99 g/mol
Molecular Formula C24H25ClF3N3O3S
Exact Mass 527.125725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQTOBDA6Gtd
Name Propanoic acid, 2-(4-chlorobenzoylamino)-2-(4,5,6,7-tetrahydro-6-tert-butyl-3-cyano-2-benzothienylamino)-3,3,3-trifluoro-, methyl ester
Alternate Name(s) 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[[(4-chlorophenyl)-oxomethyl]amino]-3,3,3-trifluoropropanoic acid methyl ester 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester Methyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate Methyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate Methyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(4-chlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoro-propanoate
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Formula C24H25ClF3N3O3S
InChI InChI=1S/C24H25ClF3N3O3S/c1-22(2,3)14-7-10-16-17(12-29)20(35-18(16)11-14)31-23(21(33)34-4,24(26,27)28)30-19(32)13-5-8-15(25)9-6-13/h5-6,8-9,14,31H,7,10-11H2,1-4H3,(H,30,32)
InChIKey FJSHLESKBCATAY-UHFFFAOYSA-N
Molecular Weight 527.990 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C(C)(C)C)C#N)C(NC(c1ccc(cc1)Cl)=O)(C(F)(F)F)C(=O)OC
SPLASH splash10-000i-8932000000-06aa816b758cfd8ea089
Wiley ID 1457689