Compound Identification
SMILES
CCC1=NC=CC(=C1)C1=NC(=CS1)C1=CC(C(O)=O)=C(C)N1CC1CCCO1
InChIKey
InChIKey=VCTOOIBUBWSHQO-UHFFFAOYSA-N
Formula
C21H23N3O3S
Mass
397.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Pyrrole carboxylic acids and derivatives
- Level 5 Pyrrole carboxylic acids
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Subclass
Pyrrole carboxylic acids and derivatives
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Class
Pyrroles
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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
Alternative Parents
2,4-disubstituted thiazoles Substituted pyrroles Pyridines and derivatives Vinylogous amides Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-3-carboxylic acid - 2,4-disubstituted 1,3-thiazole - Pyridine - Substituted pyrrole - Azole - Oxolane - Heteroaromatic compound - Vinylogous amide - Thiazole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole carboxylic acids. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group.
External Descriptors
Not available