Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)C2=C(NC(C)=C(C2C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC)S1

InChIKey

InChIKey=VTMKELVCPDVDNL-UHFFFAOYSA-N

Formula

C20H20N2O6S

Mass

416.45

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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

Nitrobenzene - Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Heteroaromatic compound - Thiophene - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - 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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