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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
1,3-diazepines Alkyl aryl ethers Bromobenzenes Aryl bromides Cyclopropanecarboxylic acids and derivatives Thiazoles Methyl esters Furans Heteroaromatic compounds Lactams Isothioureas Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organobromides Hydrocarbon derivatives
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