Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C2C3=CC=CC=C3SC12C(=O)OC)N1CCCC1

InChIKey

InChIKey=WEPFRJIQIIGTEM-UHFFFAOYSA-N

Formula

C18H19NO4S

Mass

345.41

Export to:

JSON SDF CSV

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 - Aryl thioether - Alkylarylthioether - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Methyl ester - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Enamine - Carboxylic acid derivative - Thioether - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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

Previous Back Next