Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC3=C(OC(C)C3)C=C2)C(=O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SLZPCADTYOCITQ-UHFFFAOYSA-N
Formula
C29H23ClN2O5S
Mass
547.02
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 Coumarans Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Enols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Coumaran - 1,3-benzothiazole - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Cyclic ketone - Ketone - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen 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