Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C1N(CC2=CN=CC=C2)C(=O)C(O)=C1C(=O)C1=C(C)N2C(S1)=NC1=CC=CC=C21

InChIKey

InChIKey=KWNBFBXSQKSFFY-UHFFFAOYSA-N

Formula

C29H22N4O5S

Mass

538.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolines

Subclass

Phenylpyrrolines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrroline - Benzoate ester - Benzimidazole - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Pyrroline carboxylic acid or derivatives - N-substituted imidazole - Monocyclic benzene moiety - Pyridine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Methyl ester - Pyrrole - Vinylogous acid - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Enol - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.

External Descriptors

Not available

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