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CHEBI:114581 - 5-[(4-chlorophenyl)-oxomethyl]-2-(dimethylaminomethylidene)-3-oxo-7-pyrrolo[2,1-b]thiazolecarboxylic acid methyl ester

ChEBI IDCHEBI:114581
ChEBI Name5-[(4-chlorophenyl)-oxomethyl]-2-(dimethylaminomethylidene)-3-oxo-7-pyrrolo[2,1-b]thiazolecarboxylic acid methyl ester
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DownloadsMolfile
FormulaC18H15ClN2O4S
Net Charge0
Average Mass390.848
Monoisotopic Mass390.04411
SMILESCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)c(=CN(C)C)sc12
InChIInChI=1S/C18H15ClN2O4S/c1-20(2)9-14-16(23)21-13(8-12(17(21)26-14)18(24)25-3)15(22)10-4-6-11(19)7-5-10/h4-9H,1-3H3
InChIKeyIJFUBADKLMNNRE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(4-chlorophenyl)-oxomethyl]-2-(dimethylaminomethylidene)-3-oxo-7-pyrrolo[2,1-b]thiazolecarboxylic acid methyl ester (CHEBI:114581) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-26043LINCS