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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-5-thiocyanato-6-(trichloromethyl)-1H-pyridine-3-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-5-thiocyanato-6-(trichloromethyl)-1H-pyridine-3-carboxylate CAS Name: 2-oxo-4-phenyl-5-thiocyanato-6-(trichloromethyl)-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-5-thiocyanato-6-(trichloromethyl)-1H-pyridine-3-carboxylate Traditional Name: 2-keto-4-phenyl-5-thiocyanato-6-(trichloromethyl)-1H-pyridine-3-carboxylic acid ethyl ester Formula: C16H11Cl3N2O3S MolecularWeight: 417.69414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(NC1=O)C(Cl)(Cl)Cl)SC#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(NC1=O)C(Cl)(Cl)Cl)SC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H11Cl3N2O3S/c1-2-24-15(23)11-10(9-6-4-3-5-7-9)12(25-8-20)13(16(17,18)19)21-14(11)22/h3-7H,2H2,1H3,(H,21,22)