Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(C2=NC=CS2)C(=O)C2=C1C(=O)C1=C(O2)C=CC(Br)=C1
InChIKey
InChIKey=OKDMJYPDKHHWKV-UHFFFAOYSA-N
Formula
C22H13BrN2O5S
Mass
497.32
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 Aryl bromides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Lactams Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Benzoate ester - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Pyranone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Lactam - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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