CHEBI:105294 - 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester

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ChEBI Name 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
ChEBI ID CHEBI:105294
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H13ClN2O3S2
Net Charge 0
Average Mass 344.840
Monoisotopic Mass 344.00561
InChI InChI=1S/C13H13ClN2O3S2/c1-4-19-12(18)10-7(2)16(3)13(21-10)15-11(17)8-5-6-9(14)20-8/h5-6H,4H2,1-3H3
InChIKey SYMZLNUWBPNEIT-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(S2)Cl)S1)C)C
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-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:105294) is a aromatic carboxylic acid (CHEBI:33859)
2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:105294) is a thiazoles (CHEBI:48901)
Manual Xref Database
LSM-16657 LINCS
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