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

Systemtic Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-4-22-17(20)14-10(2)19-16(23)13(9-18)15(14)11-5-7-12(21-3)8-6-11/h5-8,15,19,23H,4H2,1-3H3