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CHEBI:117121 - 2-[3-[[6-[anilino(oxo)methyl]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid

ChEBI IDCHEBI:117121
ChEBI Name2-[3-[[6-[anilino(oxo)methyl]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
Stars
DownloadsMolfile
FormulaC31H27N3O6S
Net Charge0
Average Mass569.639
Monoisotopic Mass569.16206
SMILESCCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cccc(OCC(=O)O)c4)c(=O)n32)cc1
InChIInChI=1S/C31H27N3O6S/c1-3-39-23-14-12-21(13-15-23)28-27(29(37)33-22-9-5-4-6-10-22)19(2)32-31-34(28)30(38)25(41-31)17-20-8-7-11-24(16-20)40-18-26(35)36/h4-17,28H,3,18H2,1-2H3,(H,33,37)(H,35,36)
InChIKeyPGJHPHPFFIQELK-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-[3-[[6-[anilino(oxo)methyl]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid (CHEBI:117121) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-28569LINCS