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

Systemtic Name: tert-butyl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H19N3O2S/c1-10-13(16(21)22-17(2,3)4)14(11-6-5-7-19-9-11)12(8-18)15(23)20-10/h5-7,9,14,20,23H,1-4H3