Compound Identification
SMILES
COC(=O)COC1=C(SC(=C1Br)C1=CC(NC2CC(C)(C)CC(C)(C)C2)=CC=C1)C(O)=O
InChIKey
InChIKey=HNUNMOLDHIOMFZ-UHFFFAOYSA-N
Formula
C24H30BrNO5S
Mass
524.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Thiophene carboxylic acids and derivatives
- Level 5 Thiophene carboxylic acids
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Subclass
Thiophene carboxylic acids and derivatives
-
Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Cyclohexylamines Alkyl aryl ethers Aryl bromides Methyl esters Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalkylamine - Aniline or substituted anilines - Thiophene carboxylic acid - Alkyl aryl ether - Cyclohexylamine - Secondary aliphatic/aromatic amine - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
External Descriptors
Not available