Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)[C@@H]1N(C2=NN=C(C)S2)C(=O)C2=C1C(=O)C1=CC=CC=C1O2
InChIKey
InChIKey=VMWSMBGQJUBCOC-KRWDZBQOSA-N
Formula
C22H15N3O5S
Mass
433.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 Chromones
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Chromones
Alternative Parents
Benzoic acid esters 2-heteroaryl carboxamides Benzoyl derivatives Pyranones and derivatives Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Lactams Tertiary amines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Benzoate ester - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Azole - Methyl ester - Thiadiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors
Not available