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CHEBI:91608 - 2-[2-chloro-4-[[5-(2-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-methoxyphenoxy]acetic acid

ChEBI IDCHEBI:91608
ChEBI Name2-[2-chloro-4-[[5-(2-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-methoxyphenoxy]acetic acid
Stars
DownloadsMolfile
FormulaC26H22Cl2N2O7S
Net Charge0
Average Mass577.442
Monoisotopic Mass576.05248
SMILESCCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2C1c1ccccc1Cl
InChIInChI=1S/C26H22Cl2N2O7S/c1-4-36-25(34)21-13(2)29-26-30(22(21)15-7-5-6-8-16(15)27)24(33)19(38-26)11-14-9-17(28)23(18(10-14)35-3)37-12-20(31)32/h5-11,22H,4,12H2,1-3H3,(H,31,32)
InChIKeyZZZCFNBBQNVYLT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[2-chloro-4-[[5-(2-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-methoxyphenoxy]acetic acid (CHEBI:91608) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
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