Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC(OCC)=CC=C2)C(=O)C1=O)C1=CC=C(C=C1)C(=O)OC
InChIKey
InChIKey=XHVXGBQPIGMMPR-UHFFFAOYSA-N
Formula
C30H26N2O7S
Mass
558.61
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
Benzoic acid esters Benzothiazoles Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Methyl esters Lactams Cyclic ketones Enols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzoate ester - 1,3-benzothiazole - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Methyl ester - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Enol - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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