Compound Identification
SMILES
C[C@H](S)C(=O)N1[C@H](CC2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=IDZOPVMUGVSSDZ-OIBJUYFYSA-N
Formula
C12H13NO3S
Mass
251.3
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
Alpha amino acids and derivatives Benzenoids Tertiary carboxylic acid amides Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Alpha-amino acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary amine - Alkylthiol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen 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