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2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 9mpyzjOabY
InChI InChI=1S/C19H13Cl3F3N3O3S/c1-8-11(21)5-6-13-14(8)26-17(32-13)28-18(16(30)31-2,19(23,24)25)27-15(29)10-4-3-9(20)7-12(10)22/h3-7H,1-2H3,(H,26,28)(H,27,29)
InChIKey PPWIGKGDDWSYKO-UHFFFAOYSA-N
Mol Weight 526.75 g/mol
Molecular Formula C19H13Cl3F3N3O3S
Exact Mass 524.96953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KixtIIrpqOd
Name 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13Cl3F3N3O3S
InChI InChI=1S/C19H13Cl3F3N3O3S/c1-8-11(21)5-6-13-14(8)26-17(32-13)28-18(16(30)31-2,19(23,24)25)27-15(29)10-4-3-9(20)7-12(10)22/h3-7H,1-2H3,(H,26,28)(H,27,29)
InChIKey PPWIGKGDDWSYKO-UHFFFAOYSA-N
Molecular Weight 526.745 g/mol
SMILES N(C(Nc1nc2c(c(Cl)ccc2s1)C)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-00fr-2901000000-80ef8a8b5397a36f7ced
Synonyms 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propanoate
Wiley ID 1463518