Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C1N(C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1)C1=NN=C(SCC2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=HPGLCAFGVVVSOK-UHFFFAOYSA-N
Formula
C33H27ClN4O5S3
Mass
691.23
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
2,4,5-trisubstituted thiazoles Anisoles Aryl ketones Methoxybenzenes Phenoxy compounds Pyrroline carboxylic acids and derivatives Alkylarylthioethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Thiadiazoles Pyrroles Vinylogous acids Lactams Enols Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Thiazole - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Azole - Carboxamide group - Ketone - Lactam - Azacycle - Thioether - Sulfenyl compound - Ether - Enol - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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