Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(C(=O)C2=C(C)N=C(C)S2)=C(O)C1=O)C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=JOLHUGATKPQDFR-UHFFFAOYSA-N
Formula
C22H17ClFN3O5S2
Mass
521.96
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
Thiazolecarboxylic acids and derivatives Pyrroline carboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Aryl ketones Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Methyl esters Heteroaromatic compounds Lactams Enols Azacyclic compounds Organonitrogen compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Thiazolecarboxylic acid or derivatives - Pyrroline carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Vinylogous acid - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Thiazole - Ketone - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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