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Propanoic acid, 2-(3-chlorobenzoylamino)-2-(4,5,6,7-tetrahydro-3-cyano-6-methyl-2-benzothienylamino)-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID KySyGZ9cTfr
InChI InChI=1S/C22H21ClF3N3O3S/c1-3-32-20(31)21(22(24,25)26,28-18(30)13-5-4-6-14(23)10-13)29-19-16(11-27)15-8-7-12(2)9-17(15)33-19/h4-6,10,12,29H,3,7-9H2,1-2H3,(H,28,30)
InChIKey YJLLITBNUKTPLM-UHFFFAOYSA-N
Mol Weight 499.94 g/mol
Molecular Formula C22H21ClF3N3O3S
Exact Mass 499.094425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EetxPDJ1KPi
Name Propanoic acid, 2-(3-chlorobenzoylamino)-2-(4,5,6,7-tetrahydro-3-cyano-6-methyl-2-benzothienylamino)-3,3,3-trifluoro-, ethyl ester
Alternate Name(s) 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid ethyl ester 2-[[(3-chlorophenyl)-oxomethyl]amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid ethyl ester Ethyl 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propanoate Ethyl 2-[(3-chlorophenyl)carbonylamino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate
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Formula C22H21ClF3N3O3S
InChI InChI=1S/C22H21ClF3N3O3S/c1-3-32-20(31)21(22(24,25)26,28-18(30)13-5-4-6-14(23)10-13)29-19-16(11-27)15-8-7-12(2)9-17(15)33-19/h4-6,10,12,29H,3,7-9H2,1-2H3,(H,28,30)
InChIKey YJLLITBNUKTPLM-UHFFFAOYSA-N
Molecular Weight 499.936 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(NC(c1cc(Cl)ccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH splash10-0f76-6911000000-13b4b7421348b93915ae
Wiley ID 1457690