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2-(1-Acetylamino-2,2,2-trifluoro-1-methoxycarbonyl-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester
SpectraBase Compound ID C1kgUI7vJJ1
InChI InChI=1S/C16H16F3N3O5S/c1-4-27-12(24)9-5-6-10-11(7-9)28-14(20-10)22-15(13(25)26-3,16(17,18)19)21-8(2)23/h5-7H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKey OZAYYZSYGMTCBX-UHFFFAOYSA-N
Mol Weight 419.38 g/mol
Molecular Formula C16H16F3N3O5S
Exact Mass 419.076276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R6DE8uAKJ3
Name 2-(1-Acetylamino-2,2,2-trifluoro-1-methoxycarbonyl-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester
Alternate Name(s) 2-[(1-acetamido-1-carbomethoxy-2,2,2-trifluoro-ethyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Ethyl 2-([1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino)-1,3-benzothiazole-6-carboxylate Ethyl 2-[(1-acetamido-2,2,2-trifluoro-1-methoxycarbonyl-ethyl)amino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-1,3-benzothiazole-6-carboxylate Ethyl 2-[[2-acetamido-1,1,1-tris(fluoranyl)-3-methoxy-3-oxidanylidene-propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
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Formula C16H16F3N3O5S
InChI InChI=1S/C16H16F3N3O5S/c1-4-27-12(24)9-5-6-10-11(7-9)28-14(20-10)22-15(13(25)26-3,16(17,18)19)21-8(2)23/h5-7H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKey OZAYYZSYGMTCBX-UHFFFAOYSA-N
Molecular Weight 419.375 g/mol
SMILES N(c1nc2ccc(C(=O)OCC)cc2s1)C(C(F)(F)F)(NC(=O)C)C(=O)OC
SPLASH splash10-014i-2649000000-e06fc30369e0d6dc2483
Wiley ID 1462454