Structure Information
Structure

Compound Identification

SMILES

COC1=NC=C(CC2=CC3=C(S2)C(=CC=C3)C2=CC(=CC=C2)C(O)=O)C=C1.CCOC(=O)C1=CC=CC(=C1)C1=CC=CC2=C1SC(CC1=CN=C(OC)C=C1)=C2

InChIKey

InChIKey=WHKXCLVICADYSZ-UHFFFAOYSA-N

Formula

C46H38N2O6S2

Mass

778.94

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Not available

Substituents

Benzoate ester - Benzoic acid - 1-benzothiophene - Benzothiophene - Benzoyl - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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