ethyl 5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-ethoxycarbonylphenyl)-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(4-ethoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbethoxyphenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC)C)S)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC)C)S)C#N

InChI

InChI=1S/C19H20N2O4S/c1-4-24-18(22)13-8-6-12(7-9-13)16-14(10-20)17(26)21-11(3)15(16)19(23)25-5-2/h6-9,16,21,26H,4-5H2,1-3H3