CHEBI:107857 - 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:107857
ChEBI Name5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC17H18ClNO3S
Net Charge0
Average Mass351.855
Monoisotopic Mass351.06959
SMILESCCOC(=O)c1c(C)nc(C(=O)CSc2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H18ClNO3S/c1-4-22-17(21)15-10(2)16(19-11(15)3)14(20)9-23-13-7-5-12(18)6-8-13/h5-8,19H,4,9H2,1-3H3
InChIKeyOPXJWUMCOASDQH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester (CHEBI:107857) is a aryl sulfide (CHEBI:35683)
Manual XrefsDatabases
LSM-19234LINCS