ethyl 3-[5-cyano-2,4-dimethyl-6-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[5-cyano-2,4-dimethyl-6-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[5-cyano-2,4-dimethyl-6-[2-(p-tolylsulfonyl)ethylsulfanyl]-3-pyridyl]propanoate CAS Name: 3-[5-cyano-2,4-dimethyl-6-[2-(4-methylphenyl)sulfonylethylthio]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-cyano-2,4-dimethyl-6-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridin-3-yl]propanoate Traditional Name: 3-[5-cyano-2,4-dimethyl-6-(2-tosylethylthio)-3-pyridyl]propionic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCCS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCCS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C22H26N2O4S2/c1-5-28-21(25)11-10-19-16(3)20(14-23)22(24-17(19)4)29-12-13-30(26,27)18-8-6-15(2)7-9-18/h6-9H,5,10-13H2,1-4H3