Compound Identification
SMILES
CCOC(=O)C1=NN(C2CCCCC2)C2=C1CS(=O)(=O)C1=C2C=CC(Br)=C1
InChIKey
InChIKey=NOBNKVPVVQWRHI-UHFFFAOYSA-N
Formula
C19H21BrN2O4S
Mass
453.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
- Subclass 1-benzothiopyrans
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Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiopyrans
Alternative Parents
Pyrazole carboxylic acids and derivatives Benzenoids Aryl bromides Sulfones Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiopyran - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Azole - Pyrazole - Sulfone - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiopyrans. These are organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 1-position.
External Descriptors
Not available