ethyl (2R,3R,4R)-6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-2-oxidanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4R)-6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-2-oxidanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (2R,3R,4R)-6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-hydroxy-2-methyl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (2R,3R,4R)-6-[(4-bromophenyl)methylthio]-5-cyano-2-hydroxy-2-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4R)-6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-hydroxy-2-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (2R,3R,4R)-6-[(4-bromobenzyl)thio]-5-cyano-2-hydroxy-2-methyl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C21H21BrN2O3S2 MolecularWeight: 493.43704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1(C)O)SCC2=CC=C(C=C2)Br)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(N[C@]1(C)O)SCC2=CC=C(C=C2)Br)C#N)C3=CC=CS3

InChI

InChI=1S/C21H21BrN2O3S2/c1-3-27-20(25)18-17(16-5-4-10-28-16)15(11-23)19(24-21(18,2)26)29-12-13-6-8-14(22)9-7-13/h4-10,17-18,24,26H,3,12H2,1-2H3/t17-,18+,21-/m1/s1