Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC([C@@H]2CCN(CC3=CC=CC=C3)C2=S)=C(N1)C(\[O-])=C/[N+]#N

InChIKey

InChIKey=BGGUCHQETNDWOR-MPMPPSQCSA-N

Formula

C20H20N4O3S

Mass

396.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Pyrrole carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrole carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrrole-2-carboxylic acid or derivatives - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Thiolactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Thiocarbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).

External Descriptors

Not available

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