EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108053 - 2-[[2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester

ChEBI IDCHEBI:108053
ChEBI Name2-[[2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC25H22N2O5S
Net Charge0
Average Mass462.527
Monoisotopic Mass462.12494
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H22N2O5S/c1-4-32-25(29)22-19(17-8-6-5-7-9-17)15-33-24(22)27-23(28)18(14-26)12-16-10-11-20(30-2)21(13-16)31-3/h5-13,15H,4H2,1-3H3,(H,27,28)
InChIKeyRTLYNOPKCSATJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:108053) is a cinnamamides (CHEBI:23247)
2-[[2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:108053) is a secondary carboxamide (CHEBI:140325)
Manual XrefsDatabases
LSM-19430LINCS