Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC2=C(C1C1=CC(=CC=C1)[N+]([O-])=O)S(=O)(=O)CCC1=CC=CC=C21

InChIKey

InChIKey=AOCPWTGECDEBEE-UHFFFAOYSA-N

Formula

C22H20N2O6S

Mass

440.47

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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 - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Benzenoid - Sulfone - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic cation - 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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