Compound Identification
SMILES
COC(=O)C1C(CC2CC(=O)C3=C(OC)C=CC(Cl)=C3C2)C2N=C(SC2=C(C(=O)OC)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=SMWBYORQCCQPLB-UHFFFAOYSA-N
Formula
C29H26ClNO7S
Mass
568.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Aryl alkyl ketones Anisoles Cyclohexenones Alkyl aryl ethers Imidothiolactones Dicarboxylic acids and derivatives Benzene and substituted derivatives Aryl chlorides 1,3-dicarbonyl compounds Thiazolines Methyl esters Enoate esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Aryl alkyl ketone - Aryl ketone - Anisole - Cyclohexenone - Alkyl aryl ether - Imidothiolactone - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Meta-thiazoline - Cyclic ketone - Ketone - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available