Compound Identification
SMILES
COCCNC1=NC(=CS1)C1=C(C2CCCC2)C2=C(C=C(C=C2)C(O)=O)N1C
InChIKey
InChIKey=FULPRGBOUAXSFK-UHFFFAOYSA-N
Formula
C21H25N3O3S
Mass
399.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
N-alkylindoles 3-alkylindoles 2,4-disubstituted thiazoles N-methylpyrroles Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - N-alkylindole - 3-alkylindole - Indole - 2,4-disubstituted 1,3-thiazole - N-methylpyrrole - 1,3-thiazol-2-amine - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Thiazole - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available