Structure Information
Structure

Compound Identification

SMILES

CCCOC(=O)C1=C(NC(=O)C2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)SC2=C1CCCCC2

InChIKey

InChIKey=PNSFMEQOZJQGNI-UHFFFAOYSA-N

Formula

C20H21N3O7S

Mass

447.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Cycloheptathiophenes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cycloheptathiophenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cycloheptathiophene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.

External Descriptors

Not available

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