Structure Information
Structure

Compound Identification

SMILES

OC=O.CC[N+]([O-])(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1

InChIKey

InChIKey=KJESRZVZYOHJBY-UHFFFAOYSA-N

Formula

C21H26N2O5S

Mass

418.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiochromenes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thiochromenes

Alternative Parents

Molecular Framework

Not available

Substituents

Thiochromene - 1-benzothiopyran - Benzothiopyran - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Trialkyl amine oxide - Heteroaromatic compound - N-oxide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Trisubstituted n-oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic alcohol - Organic zwitterion - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.

External Descriptors

Not available

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