Compound Identification
SMILES
CC1=C(N2C(CC2=O)SN1C1=CC=C(C=C1)C#N)C(=O)OC1OC(=O)C2=CC=CC=C12
InChIKey
InChIKey=QUQWERLSYLPTHD-UHFFFAOYSA-N
Formula
C22H15N3O5S
Mass
433.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
- Subclass Benzofuranones
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Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Benzofuranones
Alternative Parents
Phthalides Alpha amino acids and derivatives Benzonitriles Dicarboxylic acids and derivatives Vinylogous amides Tertiary carboxylic acid amides Enoate esters Beta lactams Lactones Azetidines Oxacyclic compounds Organosulfenic acid amides Acetals Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Phthalide - Benzofuranone - Isobenzofuranone - Isocoumaran - Benzonitrile - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Azetidine - Lactone - Carboxamide group - Lactam - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Organosulfenic acid amide - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors
Not available