EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121080 - 4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:121080
ChEBI Name4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC21H25N3O4S
Net Charge0
Average Mass415.515
Monoisotopic Mass415.15658
SMILESCCOC(=O)c1c(C)nc(C)c1C(=O)CSc1nc2ccccc2n1CCOC
InChIInChI=1S/C21H25N3O4S/c1-5-28-20(26)19-14(3)22-13(2)18(19)17(25)12-29-21-23-15-8-6-7-9-16(15)24(21)10-11-27-4/h6-9,22H,5,10-12H2,1-4H3
InChIKeyLDBFDCQMIDRGJY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester (CHEBI:121080) is a benzimidazoles (CHEBI:22715)
Manual XrefsDatabases
LSM-32523LINCS