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CHEBI:121846 - 3-benzamido-3-oxopropanethioic acid S-methyl ester
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ChEBI Ontology
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ChEBI Name
3-benzamido-3-oxopropanethioic acid S-methyl ester
ChEBI ID
CHEBI:121846
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This entity has been manually annotated by a third party.
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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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