Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CSC2=NN3C(S2)=NN=C3C2CCCN2C(=O)OC(C)(C)C)=C1

InChIKey

InChIKey=BEDQXUFDNAJEJI-UHFFFAOYSA-N

Formula

C20H25N5O3S2

Mass

447.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Pyrrolidine carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolidine carboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - 1,2,4-triazole - Carbamic acid ester - Ether - Thioether - Sulfenyl compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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