Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(C(=O)C(O)=C1C(=O)C1=CC2=C(O1)C(OC)=CC=C2)C1=NN=C(SCC2=CC=C(F)C=C2)S1
InChIKey
InChIKey=FHRKURKWRUFBRL-UHFFFAOYSA-N
Formula
C31H22FN3O7S2
Mass
631.65
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
Benzoic acid esters Benzofurans Benzoyl derivatives Pyrroline carboxylic acids and derivatives Anisoles Aryl ketones Fluorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl fluorides Methyl esters Pyrroles Heteroaromatic compounds Furans Tertiary carboxylic acid amides Thiadiazoles Vinylogous acids Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzoate ester - Benzoic acid or derivatives - Benzofuran - Pyrroline carboxylic acid or derivatives - Phenol ether - Aryl thioether - Anisole - Aryl ketone - Benzoyl - Alkyl aryl ether - Alkylarylthioether - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Pyrrole - Tertiary carboxylic acid amide - Thiadiazole - Methyl ester - Vinylogous acid - Azole - Furan - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Oxacycle - Ether - Enol - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen 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