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CHEBI:105199 - 3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester

ChEBI IDCHEBI:105199
ChEBI Name3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC20H21N3O2S
Net Charge0
Average Mass367.474
Monoisotopic Mass367.13545
SMILESCCOC(=O)c1nc2ccccc2c1NC(=S)Nc1cccc(C)c1C
InChIInChI=1S/C20H21N3O2S/c1-4-25-19(24)18-17(14-9-5-6-10-16(14)21-18)23-20(26)22-15-11-7-8-12(2)13(15)3/h5-11,21H,4H2,1-3H3,(H2,22,23,26)
InChIKeyZHDCEOMEDYWREW-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-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester (CHEBI:105199) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-16562LINCS