Compound Identification
SMILES
CN1C=C(C(=O)NCC2=CC=C(Cl)C=C2)C(=O)C2=C1SC(=C2)C(=O)N1CCOCC1
InChIKey
InChIKey=KAQWMALIYGDZTP-UHFFFAOYSA-N
Formula
C21H20ClN3O4S
Mass
445.92
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
Morpholine carboxylic acids and derivatives Pyridinecarboxamides 2,3,5-trisubstituted thiophenes Thiophene carboxamides 2-heteroaryl carboxamides Chlorobenzenes Aryl chlorides Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Morpholine-4-carboxylic acid or derivatives - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Aryl chloride - Morpholine - Monocyclic benzene moiety - Oxazinane - Aryl halide - Benzenoid - Pyridine - Thiophene - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Dialkyl ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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