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

Systemtic Name: ethyl (2S)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoate CAS Name: (2S)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]propionic acid ethyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3S/c1-4-29-24(27)16(2)30-23-21(15-25)20(17-10-12-19(28-3)13-11-17)14-22(26-23)18-8-6-5-7-9-18/h5-14,16H,4H2,1-3H3/t16-/m0/s1