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CHEBI:91586 - 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid but-2-ynyl ester

ChEBI IDCHEBI:91586
ChEBI Name4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid but-2-ynyl ester
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FormulaC17H18N2O3S
Net Charge0
Average Mass330.409
Monoisotopic Mass330.10381
SMILESCC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC(O)C3
InChIInChI=1S/C17H18N2O3S/c1-3-4-7-22-17(21)13-9(2)19-16-14(15(13)18)11-6-5-10(20)8-12(11)23-16/h10,20H,5-8H2,1-2H3,(H2,18,19)
InChIKeyJDTZAGLGBRRCJT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid but-2-ynyl ester (CHEBI:91586) is a thienopyridine (CHEBI:37942)
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