Compound Identification
SMILES
COC(=O)C1=CC=C(CN2C(=O)SC(=CC3=CC=CN3C3=CC=C(C=C3)N(C)C)C2=O)O1
InChIKey
InChIKey=HWKUPJMRQODPAJ-UHFFFAOYSA-N
Formula
C23H21N3O5S
Mass
451.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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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 Dialkylarylamines Aniline and substituted anilines Thiazolidinediones Methyl esters Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Furoic acid ester - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Furan - Thiazolidine - Methyl ester - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Thiocarbamic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - 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