CHEBI:107214 - 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester

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ChEBI Name 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester
ChEBI ID CHEBI:107214
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H17NO5S
Net Charge 0
Average Mass 335.377
Monoisotopic Mass 335.08274
InChI InChI=1S/C16H17NO5S/c1-20-13-8-11(16(19)22-3)12(9-14(13)21-2)17-15(18)7-10-5-4-6-23-10/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKey GWIRYOOQAMFEDV-UHFFFAOYSA-N
SMILES COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CC=CS2)OC
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 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester (CHEBI:107214) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-18568 LINCS
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