Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N)OC2=C([C@@H]1C1=CC=CS1)C(=O)CCC2

InChIKey

InChIKey=CAMIZEHKPUFZKX-LBPRGKRZSA-N

Formula

C15H15NO4S

Mass

305.35

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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 - Pyran - Thiophene - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Heteroaromatic compound - Ketene acetal or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - 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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