Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyridines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyridines

Alternative Parents

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

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