Compound Identification
SMILES
CN(C)C(=S)SCC(=O)C1=C(O)C=CC2=C1OC(=O)C(Br)=C2C
InChIKey
InChIKey=KMMBUDFVFNISRU-UHFFFAOYSA-N
Formula
C15H14BrNO4S2
Mass
416.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxycoumarins
Alternative Parents
1-benzopyrans Aryl alkyl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Heteroaromatic compounds Dithiocarbamic acid esters Lactones Sulfenyl compounds Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Aryl bromide - Pyran - Aryl halide - Benzenoid - Heteroaromatic compound - Dithiocarbamic acid ester - Vinylogous acid - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available