Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@@]2(C)N=C3S\C(=C/C4=CC=C(O4)C4=CC=C(Br)C=C4)C(=O)N3[C@@H]3C4=CC=CC=C4O[C@]123

InChIKey

InChIKey=TYTPXBPIOZVXAW-OUSALUOWSA-N

Formula

C27H19BrN2O5S

Mass

563.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Coumarans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumaran - Meta-diazepine - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Azole - Methyl ester - Thiazole - Furan - Carboxylic acid ester - Isothiourea - Lactam - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.

External Descriptors

Not available

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