Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)CSC2=NN=C(O2)C2=CC=CC=C2Cl)SC2=C1CCCCC2

InChIKey

InChIKey=XZPKBXBEIYLSCP-UHFFFAOYSA-N

Formula

C21H20ClN3O4S2

Mass

477.98

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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 - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiophene - Methyl ester - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Sulfenyl compound - Oxacycle - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen 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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