ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-(2-thienylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-(thiophen-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-(2-thenylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Br)C#N)SCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Br)C#N)SCC3=CC=CS3)C

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/h4-10,19,24H,3,12H2,1-2H3