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Structure Information
Structure

Compound Identification

SMILES

CNC(=O)OC1=CC=CC2=C1C1CC2C2=C1S2

InChIKey

InChIKey=IWRANKKFURLURC-UHFFFAOYSA-N

Formula

C13H11NO2S

Mass

245.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiepin - Naphthalene - Indane - Benzenoid - Thiane - Carbamic acid ester - Thiirene - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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