Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC2=C(OC(=O)N3CCN(C)CC3)C=C3N(C[C@@H](CBr)C3=C12)C(=O)\C=C\C1=CC(OC)=CS1

InChIKey

InChIKey=RBHQFLYLEXCDQD-FUTAKVPZSA-N

Formula

C28H31BrN4O6S

Mass

631.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Pyrroloindoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid derivative - Pyrroloindole - Indole - Piperazine-1-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Substituted pyrrole - Piperazine - 1,4-diazinane - Methyl ester - Vinylogous amide - Carbamic acid ester - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Alkyl bromide - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organohalogen compound - Organobromide - 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

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