Compound Identification
SMILES
CCOC(=O)C1=CN(CC2=CC=C(S2)C(N)=N)C=C1CC1=CC=C(C=C1)C(N)=N
InChIKey
InChIKey=VLKSILFJCOKVSE-UHFFFAOYSA-N
Formula
C21H23N5O2S
Mass
409.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroles
-
Superclass
Organoheterocyclic compounds
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
2,5-disubstituted thiophenes Substituted pyrroles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Carboximidamides Carboxamidines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-3-carboxylic acid or derivatives - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboximidamide - Amidine - Carboxylic acid derivative - Carboxylic acid amidine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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