Compound Identification
SMILES
COC(=O)C1=CC2=C(C=C1)C(CN1CCC(CC1)C1=NC(=CS1)C1=C(C)ON=C1C1=CC=CC=C1)=CN2
InChIKey
InChIKey=TYUOEISULUZTRK-UHFFFAOYSA-N
Formula
C29H28N4O3S
Mass
512.63
Taxonomic Classification
Taxonomy Tree
-
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
3-alkylindoles 2,4-disubstituted thiazoles Aralkylamines Substituted pyrroles Piperidines Benzene and substituted derivatives Methyl esters Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - 3-alkylindole - Indole - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Monocyclic benzene moiety - Piperidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Methyl ester - Azole - Thiazole - Isoxazole - Pyrrole - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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