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2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester
SpectraBase Compound ID KdXwq142fMY
InChI InChI=1S/C19H14Cl2F3N3O3S/c1-9-3-6-13-14(7-9)31-17(25-13)27-18(16(29)30-2,19(22,23)24)26-15(28)11-5-4-10(20)8-12(11)21/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKey CVTOQKCXXFWZIT-UHFFFAOYSA-N
Mol Weight 492.3 g/mol
Molecular Formula C19H14Cl2F3N3O3S
Exact Mass 491.008502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xcPlJZQ8rX
Name 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester
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Formula C19H14Cl2F3N3O3S
InChI InChI=1S/C19H14Cl2F3N3O3S/c1-9-3-6-13-14(7-9)31-17(25-13)27-18(16(29)30-2,19(22,23)24)26-15(28)11-5-4-10(20)8-12(11)21/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKey CVTOQKCXXFWZIT-UHFFFAOYSA-N
Molecular Weight 492.300 g/mol
SMILES N(C(Nc1nc2ccc(cc2s1)C)(C(F)(F)F)C(=O)OC)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-0fmi-1912300000-3c6ec85324cdb3a1fa1d
Synonyms 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-[(2,4-dichlorophenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1462796