Compound Identification
SMILES
COC(=O)C=C(NC1=C(Br)SC2=C(C=C(C)C=C2)C1=O)C(=O)OC
InChIKey
InChIKey=CRWRLYVQKPQSLM-UHFFFAOYSA-N
Formula
C16H14BrNO5S
Mass
412.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiochromenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiochromenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiochromenes
Alternative Parents
Alpha amino acids and derivatives 1-benzothiopyrans Fatty acid esters Aryl bromides Dicarboxylic acids and derivatives Benzenoids Vinylogous halides Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Thiochromene - 1-benzothiopyran - Benzothiopyran - Fatty acid ester - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous amide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Amine - Organic nitrogen compound - 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