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3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-(m-anisoylamino)propionic acid methyl ester
SpectraBase Compound ID 1UpsktKo5Tj
InChI InChI=1S/C22H22F3N3O4S/c1-12(2)13-8-9-16-17(11-13)33-20(26-16)28-21(19(30)32-4,22(23,24)25)27-18(29)14-6-5-7-15(10-14)31-3/h5-12H,1-4H3,(H,26,28)(H,27,29)
InChIKey ZVBJNBSLHFEGOW-UHFFFAOYSA-N
Mol Weight 481.49 g/mol
Molecular Formula C22H22F3N3O4S
Exact Mass 481.128312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfZseJzYuFS
Name 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-(m-anisoylamino)propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[[(3-methoxyphenyl)-oxomethyl]amino]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(3-methoxybenzoyl)amino]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-[(3-methoxybenzoyl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(3-methoxyphenyl)carbonylamino]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate
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Formula C22H22F3N3O4S
InChI InChI=1S/C22H22F3N3O4S/c1-12(2)13-8-9-16-17(11-13)33-20(26-16)28-21(19(30)32-4,22(23,24)25)27-18(29)14-6-5-7-15(10-14)31-3/h5-12H,1-4H3,(H,26,28)(H,27,29)
InChIKey ZVBJNBSLHFEGOW-UHFFFAOYSA-N
Molecular Weight 481.490 g/mol
SMILES N(C(Nc1nc2ccc(cc2s1)C(C)C)(C(F)(F)F)C(=O)OC)C(c1cc(OC)ccc1)=O
SPLASH splash10-000i-4902000000-027f51c6d5f307818fae
Wiley ID 1442305