Compound Identification
SMILES
COC(=O)C1=CC=C(CN2C(=O)SC(=CC3=CC=CN3C3=CC=C(C)C=C3)C2=O)O1
InChIKey
InChIKey=GNGQTTFMLNFAII-UHFFFAOYSA-N
Formula
C22H18N2O5S
Mass
422.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Furoic acid esters Toluenes Thiazolidinediones Methyl esters Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Furoic acid ester - Furoic acid or derivatives - Thiazolidinedione - Toluene - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Furan - Thiazolidine - Methyl ester - Heteroaromatic compound - Thiocarbamic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Oxacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available