ethyl 5-cyano-6-(cyanomethylsulfanyl)-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(cyanomethylsulfanyl)-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 5-cyano-6-(cyanomethylsulfanyl)-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate CAS Name: 5-cyano-6-(cyanomethylthio)-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(cyanomethylsulfanyl)-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate Traditional Name: 5-cyano-6-(cyanomethylthio)-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C20H18Cl2N2O3S MolecularWeight: 437.33952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)SCC#N)C#N)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)SCC#N)C#N)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C20H18Cl2N2O3S/c1-3-5-16-18(19(25)26-4-2)17(12-6-7-14(21)15(22)10-12)13(11-24)20(27-16)28-9-8-23/h6-7,10,17H,3-5,9H2,1-2H3