CHEBI:121846 - 3-benzamido-3-oxopropanethioic acid S-methyl ester

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ChEBI Name 3-benzamido-3-oxopropanethioic acid S-methyl ester
ChEBI ID CHEBI:121846
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H11NO3S
Net Charge 0
Average Mass 237.276
Monoisotopic Mass 237.04596
InChI InChI=1S/C11H11NO3S/c1-16-10(14)7-9(13)12-11(15)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,15)
InChIKey KXQJKGXGNXBZMB-UHFFFAOYSA-N
SMILES CSC(=O)CC(=O)NC(=O)C1=CC=CC=C1
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 3-benzamido-3-oxopropanethioic acid S-methyl ester (CHEBI:121846) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-33289 LINCS
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