Structure Information
Structure

Compound Identification

SMILES

NC1=C2C(OCC3=C(SC=C3)C2=O)=CC=C1

InChIKey

InChIKey=RSAQSSDRPQNHDV-UHFFFAOYSA-N

Formula

C12H9NO2S

Mass

231.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Thienobenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Thienobenzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thienobenzoxepine - Aryl ketone - Alkyl aryl ether - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Ketone - Ether - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienobenzoxepines. These are compounds containing a benzoxepine fused to a thiophene ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.

External Descriptors

Not available

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