ethyl (4R)-4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4R)-4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-4-(4-bromophenyl)-5-cyano-2-methyl-6-(2-thienylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylthio)-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-4-(4-bromophenyl)-5-cyano-2-methyl-6-(2-thenylthio)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC2=CC=CS2)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC2=CC=CS2)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O2S2/c1-3-26-21(25)18-13(2)24-20(28-12-16-5-4-10-27-16)17(11-23)19(18)14-6-8-15(22)9-7-14/h4-10,18-19H,3,12H2,1-2H3/t18?,19-/m1/s1