Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC1=CSC(NC2=CC=C(C)C=C2)=N1

InChIKey

InChIKey=RHLIEGFSAYDTBA-UHFFFAOYSA-N

Formula

C20H18N2O4S

Mass

382.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Phthalic acid and derivatives - Phthalate esters

Direct Parent

p-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Aniline or substituted anilines - Toluene - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Methyl ester - Thiazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.

External Descriptors

Not available

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