ethyl 5-cyano-4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(3-cyanophenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(3-cyanophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(3-cyanophenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#N)C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#N)C#N)SC)C

InChI

InChI=1S/C18H17N3O2S/c1-4-23-18(22)15-11(2)21-17(24-3)14(10-20)16(15)13-7-5-6-12(8-13)9-19/h5-8,16,21H,4H2,1-3H3