EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:119976 - 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester

ChEBI IDCHEBI:119976
ChEBI Name3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC24H20ClNO5S
Net Charge0
Average Mass469.946
Monoisotopic Mass469.07507
SMILESCOc1cc(C=CC(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C24H20ClNO5S/c1-30-21-14-16(6-12-20(21)27)7-13-24(29)31-15-23(28)26-19-4-2-3-5-22(19)32-18-10-8-17(25)9-11-18/h2-14,27H,15H2,1H3,(H,26,28)
InChIKeyHBRNOSWZLULCKS-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)
3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester (CHEBI:119976) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-31419LINCS