ethyl 3-cyano-4,4-dimethyl-2-oxidanylidene-6-propylsulfanyl-1,3-dihydropyridine-5-carboxylate

Systemtic Name: ethyl 3-cyano-4,4-dimethyl-2-oxidanylidene-6-propylsulfanyl-1,3-dihydropyridine-5-carboxylate Openeye Name: ethyl 3-cyano-4,4-dimethyl-2-oxo-6-propylsulfanyl-1,3-dihydropyridine-5-carboxylate CAS Name: 3-cyano-4,4-dimethyl-2-oxo-6-(propylthio)-1,3-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-4,4-dimethyl-2-oxo-6-propylsulfanyl-1,3-dihydropyridine-5-carboxylate Traditional Name: 3-cyano-2-keto-4,4-dimethyl-6-(propylthio)-1,3-dihydropyridine-5-carboxylic acid ethyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(C(=O)N1)C#N)(C)C)C(=O)OCC

Isomeric SMILES

CCCSC1=C(C(C(C(=O)N1)C#N)(C)C)C(=O)OCC

InChI

InChI=1S/C14H20N2O3S/c1-5-7-20-12-10(13(18)19-6-2)14(3,4)9(8-15)11(17)16-12/h9H,5-7H2,1-4H3,(H,16,17)