Compound Identification
SMILES
COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(Cl)cc2)=C(O)C1=O)c1ccccc1F
InChIKey
InChIKey=YIKRVWACIBSQSG-UHFFFAOYSA-N
Formula
C23H16ClFN2O5S
Mass
486.9
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 Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Benzoyl - Thiazolecarboxylic acid or derivatives - Pyrroline carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Methyl ester - Vinylogous acid - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organofluoride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - 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