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CHEBI:117080 - 4-methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:117080
ChEBI Name4-methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester
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FormulaC18H19NO3S
Net Charge0
Average Mass329.421
Monoisotopic Mass329.10856
SMILESCOC(=O)c1ccc(C)c(NC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C18H19NO3S/c1-13-8-9-14(18(21)22-2)12-16(13)19-17(20)10-11-23-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyBIAYADBCSSMORZ-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)
4-methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester (CHEBI:117080) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-28527LINCS