Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1=CC2=C(SC3=C(CC2=O)C=CC=N3)C=C1

InChIKey

InChIKey=DLQBYMPMDDTKKF-UHFFFAOYSA-N

Formula

C16H13NO3S

Mass

299.34

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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 - Diarylthioether - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Pyridine - Benzenoid - Vinylogous thioester - Methyl ester - Heteroaromatic compound - Ketone - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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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