Structure Information
Structure

Compound Identification

SMILES

CCC1=C\C(=C2\NNC=C2C2=NC(C)=CS2)C(=O)C=C1OC(C)C(=O)NCCO

InChIKey

InChIKey=FJBDVLZPPOMTGS-JXAWBTAJSA-N

Formula

C20H24N4O4S

Mass

416.5

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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 - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acylethanolamine - O-quinomethane - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Pyrazoline - Vinylogous ester - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Alkanolamine - Organoheterocyclic compound - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Organic nitrogen compound - Organic oxide - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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