Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(S1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2

InChIKey

InChIKey=IKCBGWDWSMMEIU-CQSZACIVSA-N

Formula

C17H18N2O2S

Mass

314.4

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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 - 2,5-disubstituted thiophene - Pyran - Thiophene - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - 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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