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2-Acetylamino-2-(5-chloro-4-methyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 3dVQdy7IDey
InChI InChI=1S/C14H13ClF3N3O3S/c1-6-8(15)4-5-9-10(6)19-12(25-9)21-13(11(23)24-3,14(16,17)18)20-7(2)22/h4-5H,1-3H3,(H,19,21)(H,20,22)
InChIKey QXDLHRGMUSYZFQ-UHFFFAOYSA-N
Mol Weight 395.78 g/mol
Molecular Formula C14H13ClF3N3O3S
Exact Mass 395.031825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55EdxYt0qUZ
Name 2-Acetylamino-2-(5-chloro-4-methyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
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Formula C14H13ClF3N3O3S
InChI InChI=1S/C14H13ClF3N3O3S/c1-6-8(15)4-5-9-10(6)19-12(25-9)21-13(11(23)24-3,14(16,17)18)20-7(2)22/h4-5H,1-3H3,(H,19,21)(H,20,22)
InChIKey QXDLHRGMUSYZFQ-UHFFFAOYSA-N
Molecular Weight 395.784 g/mol
SMILES N(c1nc2c(c(Cl)ccc2s1)C)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-0006-9321000000-98a4b172a1aaaa272023
Synonyms 2-Acetamido-2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester 2-Acetamido-2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-(acetylamino)-2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate Methyl 2-acetamido-2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Methyl 2-acetamido-2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-propanoate
Wiley ID 1463516