CHEBI:104927 - 2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
ChEBI ID CHEBI:104927
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H27N3O4S
Net Charge 0
Average Mass 441.545
Monoisotopic Mass 441.17223
InChI InChI=1S/C23H27N3O4S/c1-6-29-21(28)18-15-11-22(2,3)26-23(4,5)19(15)31-20(18)25-17(27)13-30-16-10-8-7-9-14(16)12-24/h7-10,26H,6,11,13H2,1-5H3,(H,25,27)
InChIKey FKOCGWKIXOGBBA-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)COC3=CC=CC=C3C#N
ChEBI Ontology
Outgoing 2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester (CHEBI:104927) is a thienopyridine (CHEBI:37942)
Manual Xref Database
LSM-16290 LINCS
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