ethyl 2-oxidanylidene-4-phenyl-5-(phenylsulfonyl)-6-(trichloromethyl)-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-5-(phenylsulfonyl)-6-(trichloromethyl)-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-(benzenesulfonyl)-2-oxo-4-phenyl-6-(trichloromethyl)-1H-pyridine-3-carboxylate CAS Name: 5-(benzenesulfonyl)-2-oxo-4-phenyl-6-(trichloromethyl)-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzenesulfonyl)-2-oxo-4-phenyl-6-(trichloromethyl)-1H-pyridine-3-carboxylate Traditional Name: 5-besyl-2-keto-4-phenyl-6-(trichloromethyl)-1H-pyridine-3-carboxylic acid ethyl ester Formula: C21H16Cl3NO5S MolecularWeight: 500.77944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(NC1=O)C(Cl)(Cl)Cl)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(NC1=O)C(Cl)(Cl)Cl)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H16Cl3NO5S/c1-2-30-20(27)16-15(13-9-5-3-6-10-13)17(18(21(22,23)24)25-19(16)26)31(28,29)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,25,26)