Compound Identification
SMILES
CCOC(=O)C1=C(NC2=CC=C(C)C=C2)SC(=CC2=C(C)N(C(C)=C2)C2=CC(C)=C(C)C=C2)C1=O
InChIKey
InChIKey=FQUXFFRINKLGPR-UHFFFAOYSA-N
Formula
C29H30N2O3S
Mass
486.63
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
o-Xylenes Aniline and substituted anilines Toluenes Vinylogous thioesters Vinylogous amides Dihydrothiophenes Enoate esters Heteroaromatic compounds Cyclic ketones Ketene acetals Thioenol ethers Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - O-xylene - Xylene - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - 2,3-dihydrothiophene - Heteroaromatic compound - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Thioenolether - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Carbonyl group - 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