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

Systemtic Name: ethyl (3R,4R)-2-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl (3R,4R)-2-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (3R,4R)-2-[(4-bromophenyl)methylthio]-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-2-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (3R,4R)-2-[(4-bromobenzyl)thio]-3-cyano-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O2S2/c1-3-26-21(25)18-13(2)24-20(28-12-14-6-8-15(22)9-7-14)16(11-23)19(18)17-5-4-10-27-17/h4-10,16,19H,3,12H2,1-2H3/t16-,19-/m0/s1