ethyl 6-(4-chlorophenyl)-5-cyano-4-methylsulfanyl-2-oxidanylidene-pyran-3-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-5-cyano-4-methylsulfanyl-2-oxidanylidene-pyran-3-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-5-cyano-4-methylsulfanyl-2-oxo-pyran-3-carboxylate CAS Name: 6-(4-chlorophenyl)-5-cyano-4-(methylthio)-2-oxo-3-pyrancarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-5-cyano-4-methylsulfanyl-2-oxopyran-3-carboxylate Traditional Name: 6-(4-chlorophenyl)-5-cyano-2-keto-4-(methylthio)pyran-3-carboxylic acid ethyl ester Formula: C16H12ClNO4S MolecularWeight: 349.78878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(OC1=O)C2=CC=C(C=C2)Cl)C#N)SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(OC1=O)C2=CC=C(C=C2)Cl)C#N)SC

InChI

InChI=1S/C16H12ClNO4S/c1-3-21-15(19)12-14(23-2)11(8-18)13(22-16(12)20)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3