Compound Identification
SMILES
CC(=O)C1=C(C)N=C(S1)N1C(C(C(=O)C2=CC3=CC=CC=C3O2)=C(O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JSFFAMSYQPVJEV-UHFFFAOYSA-N
Formula
C25H17ClN2O5S
Mass
492.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Benzofurans Pyrroline carboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Chlorobenzenes Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Furans Lactams Oxacyclic compounds Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Azole - Thiazole - Furan - Vinylogous acid - Carboxamide group - Lactam - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen 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