Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1N(C2=NC3=C(S2)C=C(Cl)C=C3)C(=O)C(O)=C1C(=O)C1=CC2=CC=CC=C2O1
InChIKey
InChIKey=MPSCXYAAFLZCKV-UHFFFAOYSA-N
Formula
C29H21ClN2O4S
Mass
529.01
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
Aromatic monoterpenoids Benzofurans Benzothiazoles Cumenes Phenylpropanes Pyrroline carboxylic acids and derivatives Aryl ketones Aryl chlorides Thiazoles Tertiary carboxylic acid amides Pyrroles Vinylogous acids Furans Heteroaromatic compounds Lactams Enols Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Cumene - 1,3-benzothiazole - Benzofuran - Phenylpropane - Aryl ketone - Pyrroline carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Vinylogous acid - Thiazole - Azole - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ketone - Lactam - Oxacycle - Azacycle - Enol - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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