Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=C(C)C=CC(C)=C2)C(=O)C1=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=BTOKWKZIMIJKDV-UHFFFAOYSA-N
Formula
C28H24N2O5S
Mass
500.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzothiazoles p-Xylenes Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - 2-pyrrolidone - 3-pyrrolidone - Azole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Lactam - Ketone - Carboxamide group - Cyclic ketone - Ether - Enol - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available