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Ethyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate
SpectraBase Compound ID 2ZprSuGnVek
InChI InChI=1S/C20H19ClF3N3O3S/c1-4-12-11(3)31-17(14(12)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)13-8-6-7-9-15(13)21/h6-9,27H,4-5H2,1-3H3,(H,26,28)
InChIKey OXVQUKKBOSSRSE-UHFFFAOYSA-N
Mol Weight 473.9 g/mol
Molecular Formula C20H19ClF3N3O3S
Exact Mass 473.078775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FEmKYtqLlm
Name Ethyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate
CAS Registry Number 299922-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClF3N3O3S
InChI InChI=1S/C20H19ClF3N3O3S/c1-4-12-11(3)31-17(14(12)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)13-8-6-7-9-15(13)21/h6-9,27H,4-5H2,1-3H3,(H,26,28)
InChIKey OXVQUKKBOSSRSE-UHFFFAOYSA-N
Molecular Weight 473.898 g/mol
SMILES N(c1c(c(CC)c(s1)C)C#N)C(NC(c1c(Cl)cccc1)=O)(C(F)(F)F)C(=O)OCC
SPLASH splash10-00kr-4910000000-29c8393ad70501f85e68
Source of Spectrum AD-0-2532-0
Synonyms 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propionic acid ethyl ester 2-[[(2-chlorophenyl)-oxomethyl]amino]-2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoropropanoic acid ethyl ester Ethyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(2-chlorophenyl)carbonylamino]-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Propanoic acid, 2-(2-chlorobenzoylamino)-2-(3-cyano-4-ethyl-5-methyl-2-thienylamino)-3,3,3-trifluoro-, ethyl ester
Wiley ID 1419618