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3,3,3-Trifluoro-2-(4-methoxy-benzoylamino)-2-(4-methyl-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID GiVaHSole6Q
InChI InChI=1S/C20H18F3N3O4S/c1-11-5-4-6-14-15(11)24-18(31-14)26-19(17(28)30-3,20(21,22)23)25-16(27)12-7-9-13(29-2)10-8-12/h4-10H,1-3H3,(H,24,26)(H,25,27)
InChIKey DNAFPCXVJBJUHZ-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C20H18F3N3O4S
Exact Mass 453.097012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUOq0WEsoLW
Name 3,3,3-Trifluoro-2-(4-methoxy-benzoylamino)-2-(4-methyl-benzothiazol-2-ylamino)-propionic acid methyl ester
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Formula C20H18F3N3O4S
InChI InChI=1S/C20H18F3N3O4S/c1-11-5-4-6-14-15(11)24-18(31-14)26-19(17(28)30-3,20(21,22)23)25-16(27)12-7-9-13(29-2)10-8-12/h4-10H,1-3H3,(H,24,26)(H,25,27)
InChIKey DNAFPCXVJBJUHZ-UHFFFAOYSA-N
Molecular Weight 453.436 g/mol
SMILES N(C(Nc1nc2c(cccc2s1)C)(C(F)(F)F)C(=O)OC)C(c1ccc(cc1)OC)=O
SPLASH splash10-0udr-2925500000-9f6e51696584b9fe1d2d
Synonyms 3,3,3-trifluoro-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-(p-anisoylamino)propionic acid methyl ester 3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1462805