Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N2C(SC(=CC3=CC(OC)=C(OC)C=C3)C2=O)=NC(C)=C1C(=O)OCC(C)C
InChIKey
InChIKey=ZETVJJDFMPBTLP-UHFFFAOYSA-N
Formula
C29H30N2O7S
Mass
550.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Thiazoles Methyl esters Heteroaromatic compounds Enoate esters Lactams Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Heteroaromatic compound - Thiazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - Lactam - Isothiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available