Structure Information
Structure

Compound Identification

SMILES

COC1=C2C(=O)CC(SC2=C(OC(=O)N2CCCCC2)C=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=FWDMUXLLIQGLSB-UHFFFAOYSA-N

Formula

C22H22ClNO4S

Mass

431.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiochromanes

Subclass

Thioflavans

Intermediate Tree Nodes

Not available

Direct Parent

Thioflavans

Alternative Parents

1-benzothiopyrans Piperidinecarboxylic acids Anisoles Aryl alkyl ketones Chlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Vinylogous thioesters Thiopyrans Carbamate esters Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thioflavan - 1-benzothiopyran - Benzothiopyran - Piperidinecarboxylic acid - Aryl thioether - Anisole - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Piperidine - Thiopyran - Benzenoid - Carbamic acid ester - Tertiary amine - Ketone - Azacycle - Thioether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thioflavans. These are compounds containing a thiochromane skeleton substituted at the 2-position with a phenyl group.

External Descriptors

Not available

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