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2-Chloro-N-(7-(4-chlorophenyl)-6-cyano-2-(4-sulfamoylphenylamino)-7H- thiazolo[4,5-b]pyrane-5-yl)acetamide
SpectraBase Compound ID A2dV5bXT1cw
InChI InChI=1S/C21H15Cl2N5O4S2/c22-9-16(29)27-19-15(10-24)17(11-1-3-12(23)4-2-11)18-20(32-19)28-21(33-18)26-13-5-7-14(8-6-13)34(25,30)31/h1-8,17H,9H2,(H,26,28)(H,27,29)(H2,25,30,31)
InChIKey GLCPUMLOGUUOHU-UHFFFAOYSA-N
Mol Weight 536.41 g/mol
Molecular Formula C21H15Cl2N5O4S2
Exact Mass 534.994252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjlvAgOYGQC
Name 2-Chloro-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 C21H15Cl2N5O4S2
InChI InChI=1S/C21H15Cl2N5O4S2/c22-9-16(29)27-19-15(10-24)17(11-1-3-12(23)4-2-11)18-20(32-19)28-21(33-18)26-13-5-7-14(8-6-13)34(25,30)31/h1-8,17H,9H2,(H,26,28)(H,27,29)(H2,25,30,31)
InChIKey GLCPUMLOGUUOHU-UHFFFAOYSA-N
Molecular Weight 536.408 g/mol
SMILES N(C1=C(C(c2c(nc(s2)Nc2ccc(S(=O)(=O)N)cc2)O1)c1ccc(cc1)Cl)C#N)C(=O)CCl
SPLASH splash10-0006-9000000000-bcf80db17049a0583081
Source of Spectrum F2-46-5126-18
Synonyms 2-chloro-N-[7-(4-chlorophenyl)-6-cyano-2-(4-sulfamoylanilino)-7H-pyrano[2,3-d][1,3]thiazol-5-yl]acetamide 2-chloranyl-N-[7-(4-chlorophenyl)-6-cyano-2-[(4-sulfamoylphenyl)amino]-7H-pyrano[2,3-d][1,3]thiazol-5-yl]ethanamide
Wiley ID 1689754