ethyl 2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]-2-phenyl-acetic acid ethyl ester Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H20N2O2S/c1-3-27-23(26)21(18-12-8-5-9-13-18)28-22-20(15-24)19(14-16(2)25-22)17-10-6-4-7-11-17/h4-14,21H,3H2,1-2H3