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CHEBI:109419 - 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:109419
ChEBI Name2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC17H19NO3S
Net Charge0
Average Mass317.410
Monoisotopic Mass317.10856
SMILESCOC(=O)c1c(-n2c(C)cc(C=O)c2C)sc2c1CCCC2
InChIInChI=1S/C17H19NO3S/c1-10-8-12(9-19)11(2)18(10)16-15(17(20)21-3)13-6-4-5-7-14(13)22-16/h8-9H,4-7H2,1-3H3
InChIKeyOXFIWBCFEMDNNG-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)
2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:109419) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-20817LINCS