Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(Cl)C=C1)C(=O)NC1=C(C(=O)OC(C)C)C2=C(CCCCC2)S1

InChIKey

InChIKey=MWMKBZXBEYFKFV-UHFFFAOYSA-N

Formula

C21H24ClNO4S

Mass

421.94

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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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - 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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