Compound Identification
SMILES
FC1=CC=C(C=C1)C1SC2=C(SC(=O)N2)C2C1C(=O)OC1=C(Br)C=C(Br)C=C21
InChIKey
InChIKey=AQXZZJUYVKUPQQ-UHFFFAOYSA-N
Formula
C19H10Br2FNO3S2
Mass
543.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Alkylarylthioethers Fluorobenzenes Thiopyrans Aryl bromides Aryl fluorides Thiazoles Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Benzopyran - Chromane - 1-benzopyran - Aryl thioether - Alkylarylthioether - Halobenzene - Fluorobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Benzenoid - Thiopyran - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available