Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1CC(C2=C(C1)SC(CN1CCOCC1)=C2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=YYBULXCRPHXDPQ-BTJKTKAUSA-N
Formula
C23H27ClN2O5S
Mass
478.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyridines
Alternative Parents
2,3,5-trisubstituted thiophenes Aralkylamines Chlorobenzenes Unsaturated fatty acids Aryl chlorides Morpholines Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Thienopyridine - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Ether - Organopnictogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available