Compound Identification
SMILES
CCC1=CC2=C(C=C1)N=C(S2)N1C(C(C(=O)C2=CC=CO2)=C(O)C1=O)C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=AWPJJKUOQWZVJV-UHFFFAOYSA-N
Formula
C27H24N2O4S
Mass
472.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Aromatic monoterpenoids Bicyclic monoterpenoids Benzothiazoles Phenylpropanes Cumenes Aryl ketones Pyrroline carboxylic acids and derivatives Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Enols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Cumene - Phenylpropane - 1,3-benzothiazole - Aryl ketone - Pyrroline carboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Furan - Vinylogous acid - Heteroaromatic compound - Azole - Carboxamide group - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available