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CHEBI:105318 - 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester

Default Structure
ChEBI IDCHEBI:105318
ChEBI Name5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC10H10N2O3S
Net Charge0
Average Mass238.268
Monoisotopic Mass238.04121
SMILESCOCc1nc(=S)c(C#N)cc1C(=O)OC
InChIInChI=1S/C10H10N2O3S/c1-14-5-8-7(10(13)15-2)3-6(4-11)9(16)12-8/h3H,5H2,1-2H3,(H,12,16)
InChIKeySYPFPQUWMZYAMG-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)
5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester (CHEBI:105318) is a aromatic carboxylic acid (CHEBI:33859)
5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester (CHEBI:105318) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-16681LINCS