CHEBI:114759 - 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester
ChEBI ID CHEBI:114759
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O3S
Net Charge 0
Average Mass 356.441
Monoisotopic Mass 356.11946
InChI InChI=1S/C19H20N2O3S/c1-13(18(22)20-10-8-14-6-4-3-5-7-14)24-19(23)16-12-17-15(21(16)2)9-11-25-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,20,22)
InChIKey WNQHXXVAJMZPFF-UHFFFAOYSA-N
SMILES CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(N2C)C=CS3
ChEBI Ontology
Outgoing 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester (CHEBI:114759) is a organic heterobicyclic compound (CHEBI:27171)
4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester (CHEBI:114759) is a organonitrogen heterocyclic compound (CHEBI:38101)
4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester (CHEBI:114759) is a organosulfur heterocyclic compound (CHEBI:38106)
Manual Xref Database
LSM-26221 LINCS
View more database links