Compound Identification
SMILES
CC1=C(C(C2=C(Br)SC3=CC=CC=C23)C(C(O)=O)=C(C)N1)C(O)=O
InChIKey
InChIKey=HTQVSIGWXPQFIO-UHFFFAOYSA-N
Formula
C17H14BrNO4S
Mass
408.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
1-benzothiophenes Dicarboxylic acids and derivatives Benzenoids Aryl bromides Vinylogous amides Thiophenes Heteroaromatic compounds Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Dihydropyridinecarboxylic acid derivative - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Enamine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available