Compound Identification
SMILES
ClC1=C(N2C(SC1)C(NC(=O)CC1=CC=CC=C1)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=OEWRITFYXKDEFQ-UHFFFAOYSA-N
Formula
C28H23ClN2O4S
Mass
519.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
Diphenylmethanes N-acyl-alpha amino acids and derivatives Phenylacetamides Benzyloxycarbonyls 1,3-thiazines Vinylogous halides Tertiary carboxylic acid amides Enoate esters Azetidines Secondary carboxylic acid amides Vinyl chlorides Azacyclic compounds Thiohemiaminal derivatives Chloroalkenes Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkylthioether - Vinyl halide - Vinyl chloride - Hemithioaminal - Thioether - Carboxylic acid derivative - Haloalkene - Monocarboxylic acid or derivatives - Chloroalkene - Azacycle - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available