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CHEBI:120926 - 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester

ChEBI IDCHEBI:120926
ChEBI Name2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester
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Last Modified9 March 2018
DownloadsMolfile
FormulaC19H22N2O5S
Net Charge0
Average Mass390.461
Monoisotopic Mass390.12494
SMILESCOc1ccc(NC(=O)CSc2ncccc2C(=O)OC(C)C)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-12(2)26-19(23)14-6-5-9-20-18(14)27-11-17(22)21-13-7-8-15(24-3)16(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyFZAFYEPEEIWNHD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:120926) is a dimethoxybenzene (CHEBI:51681)
2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:120926) is a isopropyl ester (CHEBI:35725)
2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:120926) is a secondary carboxamide (CHEBI:140325)
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