Compound Identification
SMILES
COC1=CC(C2N(C(=O)C(O)=C2C(=O)C2=CC=C(C)O2)C2=NC3=C(S2)C=C(F)C=C3)=C(OC)C=C1
InChIKey
InChIKey=VVQIJRQWUDFUPP-UHFFFAOYSA-N
Formula
C25H19FN2O6S
Mass
494.49
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
Dimethoxybenzenes Benzothiazoles Anisoles Aryl ketones Phenoxy compounds Pyrroline carboxylic acids and derivatives Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Furans Thiazoles Vinylogous acids Pyrroles Tertiary carboxylic acid amides Lactams Oxacyclic compounds Enols Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Dimethoxybenzene - P-dimethoxybenzene - 1,3-benzothiazole - Anisole - Phenol ether - Phenoxy compound - Pyrroline carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Aryl halide - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Furan - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - 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