ethyl (4S)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-(cyanomethylthio)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-(cyanomethylthio)-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC#N)C#N)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC#N)C#N)C2=CC=CS2

InChI

InChI=1S/C16H15N3O2S2/c1-3-21-16(20)13-10(2)19-15(23-8-6-17)11(9-18)14(13)12-5-4-7-22-12/h4-5,7,13-14H,3,8H2,1-2H3/t13?,14-/m0/s1