CHEBI:116443 - 2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester

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ChEBI Name 2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
ChEBI ID CHEBI:116443
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H15NO3S
Net Charge 0
Average Mass 301.362
Monoisotopic Mass 301.07726
InChI InChI=1S/C16H15NO3S/c1-20-16(19)13-9-5-6-10-14(13)17-15(18)11-21-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18)
InChIKey OXYKUCGUWCMDHZ-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester (CHEBI:116443) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-27897 LINCS
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