Compound Identification
SMILES
CC1=C(C(=O)COC(=O)CSC2=C(C#N)C(C)=CC(=O)N2)C2=CC=CC=C2N1
InChIKey
InChIKey=HMJJIPDUOSMIKR-UHFFFAOYSA-N
Formula
C20H17N3O4S
Mass
395.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
3-pyridinecarbonitriles Aryl alkyl ketones Pyridinones Alkylarylthioethers Alpha-acyloxy ketones Methylpyridines Dihydropyridines Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Sulfenyl compounds Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Aryl thioether - Aryl ketone - Aryl alkyl ketone - 3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Methylpyridine - Alpha-acyloxy ketone - Alkylarylthioether - Hydropyridine - Pyridine - Substituted pyrrole - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactam - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available