Compound Identification
SMILES
COC(=O)C1=C(SC)C2=C(N1)C=CC(OC)=C2
InChIKey
InChIKey=IPQQGVOGFPVIFO-UHFFFAOYSA-N
Formula
C12H13NO3S
Mass
251.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- 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 and derivatives
Alternative Parents
Indoles Pyrrole carboxylic acids and derivatives Anisoles Alkylarylthioethers Alkyl aryl ethers Vinylogous thioesters Substituted pyrroles Methyl esters Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Indole - Aryl thioether - Anisole - Phenol ether - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Alkylarylthioether - Substituted pyrrole - Benzenoid - Vinylogous thioester - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available