ethyl (2S)-2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]propanoate CAS Name: (2S)-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]propionic acid ethyl ester Formula: C23H19BrN2O2S MolecularWeight: 467.37816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H19BrN2O2S/c1-3-28-23(27)15(2)29-22-20(14-25)19(16-7-5-4-6-8-16)13-21(26-22)17-9-11-18(24)12-10-17/h4-13,15H,3H2,1-2H3/t15-/m0/s1