Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CN(CC(=O)N3CCOCC3)C3=CC=CC=C23)C(=O)N1CC
InChIKey
InChIKey=JIJQAPKBVLSVRN-UHFFFAOYSA-N
Formula
C29H30N4O5S
Mass
546.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
N-alkylindoles Indoles Benzoyl derivatives Substituted pyrroles Morpholines Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Isothioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - N-alkylindole - Indole - Indole or derivatives - Benzoyl - Morpholine - Oxazinane - Substituted pyrrole - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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