Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=C(N)N(C3=NC4=CC=CC=C4N=C23)C2=CC=C(OCC)C=C2)SC2CCCCC12
InChIKey
InChIKey=UYRVPDXQDHFDRG-UHFFFAOYSA-N
Formula
C30H31N5O4S
Mass
557.67
Taxonomic Classification
Taxonomy Tree
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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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Quinoxalines Pyrrolopyrazines Phenol ethers Pyrrole carboxamides Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters Pyrazines Vinylogous amides Dihydrothiophenes Enoate esters Heteroaromatic compounds Ketene acetals Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Quinoxaline - Pyrrolopyrazine - Phenoxy compound - Phenol ether - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazine - Vinylogous thioester - Benzenoid - 2,3-dihydrothiophene - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic 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