Compound Identification
SMILES
COC(=O)C1=C(NC2=CC(Cl)=C(Cl)C=C2)SC(=CC2=CNC3=CC=CC=C23)C1=O
InChIKey
InChIKey=ZITXVNOSCMJZKG-UHFFFAOYSA-N
Formula
C21H14Cl2N2O3S
Mass
445.31
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
Aniline and substituted anilines Dichlorobenzenes Vinylogous thioesters Substituted pyrroles Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Dihydrothiophenes Thioenol ethers Ketene acetals Cyclic ketones Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - 1,2-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous thioester - Enoate ester - Methyl ester - Heteroaromatic compound - Pyrrole - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - 2,3-dihydrothiophene - Cyclic ketone - Thioenolether - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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