Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@@H](C2=CC=CS2)C2=C(C[C@H](CC2=O)C2=CC=CC=C2)O1

InChIKey

InChIKey=GEMOXYJUYDPQOV-UGSOOPFHSA-N

Formula

C20H16N2O2S

Mass

348.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cyclohexenone - Monocyclic benzene moiety - Pyran - Benzenoid - Thiophene - Vinylogous ester - Heteroaromatic compound - Ketene acetal or derivatives - Organoheterocyclic compound - Nitrile - Carbonitrile - Oxacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

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