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CHEBI:94061 - 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester

Default Structure
ChEBI IDCHEBI:94061
ChEBI Name3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
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DownloadsMolfile
FormulaC18H17NO2S
Net Charge0
Average Mass311.406
Monoisotopic Mass311.09800
SMILESCOC(=O)CCc1nc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C18H17NO2S/c1-21-17(20)12-11-16-18(22-13-7-3-2-4-8-13)14-9-5-6-10-15(14)19-16/h2-10,19H,11-12H2,1H3
InChIKeyLZSQQWLNWAMWTO-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)
3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester (CHEBI:94061) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-4662LINCS