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CHEBI:112877 - 4,5-dimethyl-2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester

ChEBI IDCHEBI:112877
ChEBI Name4,5-dimethyl-2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC17H18N2O3S3
Net Charge0
Average Mass394.543
Monoisotopic Mass394.04796
SMILESCCOC(=O)c1c(NC(=S)NC(=O)C=Cc2cccs2)sc(C)c1C
InChIInChI=1S/C17H18N2O3S3/c1-4-22-16(21)14-10(2)11(3)25-15(14)19-17(23)18-13(20)8-7-12-6-5-9-24-12/h5-9H,4H2,1-3H3,(H2,18,19,20,23)
InChIKeyBPYSVVWTKRDOGG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4,5-dimethyl-2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:112877) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-24287LINCS