Compound Identification
SMILES
COC1=C2N(C)C3N4C(=O)C5(C)SSSC4(C(O)C3(O)C2=CC(Cl)=C1OC)C(=O)N5C
InChIKey
InChIKey=NAEONKBZNXPTMI-UHFFFAOYSA-N
Formula
C18H20ClN3O6S3
Mass
506.0
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyrroloindoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloindoles
Alternative Parents
Alpha amino acids and derivatives Thiodioxopiperazines Indoles Anisoles Dialkylarylamines Alkyl aryl ethers N-methylpiperazines Aryl chlorides Tertiary carboxylic acid amides Tertiary alcohols Pyrrolidines Pyrroles Organic trisulfides 1,2-diols Secondary alcohols Lactams Azacyclic compounds Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloindole - Alpha-amino acid or derivatives - Indole - Thiodioxopiperazine - Dioxopiperazine - Phenol ether - Anisole - 2,5-dioxopiperazine - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - Alkyl aryl ether - Aryl chloride - 1,4-diazinane - Benzenoid - Piperazine - Aryl halide - Tertiary carboxylic acid amide - Tertiary alcohol - Organic trisulfide - Pyrrolidine - Pyrrole - 1,2-diol - Carboxamide group - Secondary alcohol - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available