Compound Identification
SMILES
COC1=CC=CC(=C1)C1N(C2=NC(C)=C(S2)C(C)=O)C(=O)C(O)=C1C(=O)C1=CC2=C(O1)C(OC)=CC=C2
InChIKey
InChIKey=YDVYZRXNRVPFLP-UHFFFAOYSA-N
Formula
C27H22N2O7S
Mass
518.54
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 2,4,5-trisubstituted thiazoles Anisoles Aryl alkyl ketones Methoxybenzenes Phenoxy compounds Pyrroline carboxylic acids and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Pyrroles Vinylogous acids Tertiary carboxylic acid amides Lactams Enols Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Phenol ether - Phenoxy compound - Pyrroline carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrrole - Vinylogous acid - Furan - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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