ethyl (3R,4S)-3-cyano-6-methyl-2-[(4-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: ethyl (3R,4S)-3-cyano-6-methyl-2-[(4-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl (3R,4S)-3-cyano-6-methyl-2-(p-tolylmethylsulfanyl)-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (3R,4S)-3-cyano-6-methyl-2-[(4-methylphenyl)methylthio]-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-3-cyano-6-methyl-2-[(4-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (3R,4S)-3-cyano-6-methyl-2-[(4-methylbenzyl)thio]-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(C1C2=CC=CS2)C#N)SCC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C([C@H]([C@@H]1C2=CC=CS2)C#N)SCC3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H22N2O2S2/c1-4-26-22(25)19-15(3)24-21(28-13-16-9-7-14(2)8-10-16)17(12-23)20(19)18-6-5-11-27-18/h5-11,17,20H,4,13H2,1-3H3/t17-,20+/m0/s1