Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)C1=C(O)C(=O)N(C1C1=CC=C(O)C=C1)C1=NN=C(SCC2=C(Cl)C=C(Cl)C=C2)S1
InChIKey
InChIKey=NHPNTWURCCEIDW-UHFFFAOYSA-N
Formula
C29H19Cl2N3O6S2
Mass
640.51
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
Benzofurans Pyrroline carboxylic acids and derivatives Anisoles Aryl ketones Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Furans Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Enols Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Anisole - Aryl thioether - 1,3-dichlorobenzene - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Alkylarylthioether - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Furan - Azole - Vinylogous acid - Pyrrole - Carboxamide group - Lactam - Ketone - Sulfenyl compound - Enol - Oxacycle - Thioether - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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