Compound Identification
SMILES
COC1=CC=C(CN2CCC3=C(SC(=C3)C3CC(=O)NS3(=O)=O)C2CNC(=O)C(F)(F)F)C=C1
InChIKey
InChIKey=HXTODBGVUZJLSB-UHFFFAOYSA-N
Formula
C21H22F3N3O5S2
Mass
517.54
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 Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Methoxybenzenes Alkyl aryl ethers Aralkylamines Gamma sultams Organosulfonic acids and derivatives Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyridine - Phenoxy compound - Anisole - Benzylamine - Phenylmethylamine - Methoxybenzene - 2,3,5-trisubstituted thiophene - Phenol ether - Alkyl aryl ether - Gamma-sultam - Aralkylamine - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Thiophene - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Amine - Organic nitrogen compound - 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