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CHEBI:91904 - 2-[2,6-dichloro-4-[[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid

ChEBI IDCHEBI:91904
ChEBI Name2-[2,6-dichloro-4-[[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
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DownloadsMolfile
FormulaC26H22Cl2N2O7S
Net Charge0
Average Mass577.442
Monoisotopic Mass576.05248
SMILESCCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1
InChIInChI=1S/C26H22Cl2N2O7S/c1-4-36-25(34)21-13(2)29-26-30(22(21)15-6-5-7-16(11-15)35-3)24(33)19(38-26)10-14-8-17(27)23(18(28)9-14)37-12-20(31)32/h5-11,22H,4,12H2,1-3H3,(H,31,32)
InChIKeyPRKYYRSNDWFECB-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-[2,6-dichloro-4-[[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid (CHEBI:91904) is a monocarboxylic acid (CHEBI:25384)
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