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N-acetyl-N-(7-(4-chlorophenyl)-6-cyano-2-(4-sulfamoylphenylamino)-7H- thiazolo[4,5-b]pyrane-5-yl)acetamide
SpectraBase Compound ID H0UOVY8plXL
InChI InChI=1S/C23H18ClN5O5S2/c1-12(30)29(13(2)31)22-18(11-25)19(14-3-5-15(24)6-4-14)20-21(34-22)28-23(35-20)27-16-7-9-17(10-8-16)36(26,32)33/h3-10,19H,1-2H3,(H,27,28)(H2,26,32,33)
InChIKey MFDJVIROYNAWBK-UHFFFAOYSA-N
Mol Weight 544.0 g/mol
Molecular Formula C23H18ClN5O5S2
Exact Mass 543.043789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIW6hSVEQoj
Name N-acetyl-N-(7-(4-chlorophenyl)-6-cyano-2-(4-sulfamoylphenylamino)-7H- thiazolo[4,5-b]pyrane-5-yl)acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C23H18ClN5O5S2
InChI InChI=1S/C23H18ClN5O5S2/c1-12(30)29(13(2)31)22-18(11-25)19(14-3-5-15(24)6-4-14)20-21(34-22)28-23(35-20)27-16-7-9-17(10-8-16)36(26,32)33/h3-10,19H,1-2H3,(H,27,28)(H2,26,32,33)
InChIKey MFDJVIROYNAWBK-UHFFFAOYSA-N
Molecular Weight 544.000 g/mol
SMILES N(c1nc2OC(=C(C(c3ccc(cc3)Cl)c2s1)C#N)N(C(=O)C)C(=O)C)c1ccc(S(=O)(=O)N)cc1
SPLASH splash10-0a4i-9000000000-8a62c62f2cb7d02a2c8c
Source of Spectrum F2-46-5124-8
Synonyms N-acetyl-N-[7-(4-chlorophenyl)-6-cyano-2-(4-sulfamoylanilino)-7H-pyrano[2,3-d][1,3]thiazol-5-yl]acetamide N-[7-(4-chlorophenyl)-6-cyano-2-[(4-sulfamoylphenyl)amino]-7H-pyrano[2,3-d][1,3]thiazol-5-yl]-N-ethanoyl-ethanamide
Wiley ID 1689764