ethyl 5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-4-(4-pyridyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-3-20-15(19)12-9(2)18-14(21)11(8-16)13(12)10-4-6-17-7-5-10/h4-7,13,18,21H,3H2,1-2H3