EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121600 - 2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:121600
ChEBI Name2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC15H16ClN3O3S
Net Charge0
Average Mass353.831
Monoisotopic Mass353.06009
SMILESCOC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CCCC2
InChIInChI=1S/C15H16ClN3O3S/c1-19-7-9(16)12(18-19)13(20)17-14-11(15(21)22-2)8-5-3-4-6-10(8)23-14/h7H,3-6H2,1-2H3,(H,17,20)
InChIKeyVXGYSHUXSLXNGW-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-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:121600) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-33043LINCS