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2-Acetylamino-3,3,3-trifluoro-2-(6-isopropyl-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID 343sdiblneZ
InChI InChI=1S/C16H18F3N3O3S/c1-8(2)10-5-6-11-12(7-10)26-14(20-11)22-15(13(24)25-4,16(17,18)19)21-9(3)23/h5-8H,1-4H3,(H,20,22)(H,21,23)
InChIKey ICORAWOTXYMUIN-UHFFFAOYSA-N
Mol Weight 389.39 g/mol
Molecular Formula C16H18F3N3O3S
Exact Mass 389.102097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EF7gGlbG3gC
Name 2-Acetylamino-3,3,3-trifluoro-2-(6-isopropyl-benzothiazol-2-ylamino)-propionic acid methyl ester
Alternate Name(s) 2-Acetamido-3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]propionic acid methyl ester 2-Acetamido-3,3,3-trifluoro-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester Methyl 2-acetamido-3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-trifluoro-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate
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Formula C16H18F3N3O3S
InChI InChI=1S/C16H18F3N3O3S/c1-8(2)10-5-6-11-12(7-10)26-14(20-11)22-15(13(24)25-4,16(17,18)19)21-9(3)23/h5-8H,1-4H3,(H,20,22)(H,21,23)
InChIKey ICORAWOTXYMUIN-UHFFFAOYSA-N
Molecular Weight 389.393 g/mol
SMILES N(c1nc2ccc(cc2s1)C(C)C)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-003i-2859000000-d788b0e00e369408dcb2
Wiley ID 1465554