ethyl 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]propanoate CAS Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylpropanoate Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridyl]thio]propionic acid ethyl ester Formula: C27H28N2O2S MolecularWeight: 444.58842

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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)C(C)(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-6-31-26(30)18(2)32-25-23(17-28)22(16-24(29-25)20-10-8-7-9-11-20)19-12-14-21(15-13-19)27(3,4)5/h7-16,18H,6H2,1-5H3