ethyl 5-cyano-2-methyl-6-[(2-methylsulfanyl-1-oxidanyl-cyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2-methylsulfanyl-1-oxidanyl-cyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1-hydroxy-2-methylsulfanyl-cyclohexyl)methylsulfanyl]-2-methyl-4-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[1-hydroxy-2-(methylthio)cyclohexyl]methylthio]-2-methyl-4-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(1-hydroxy-2-methylsulfanylcyclohexyl)methylsulfanyl]-2-methyl-4-phenylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[1-hydroxy-2-(methylthio)cyclohexyl]methylthio]-2-methyl-4-phenyl-nicotinic acid ethyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2)C#N)SCC3(CCCCC3SC)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2)C#N)SCC3(CCCCC3SC)O)C

InChI

InChI=1S/C24H28N2O3S2/c1-4-29-23(27)20-16(2)26-22(18(14-25)21(20)17-10-6-5-7-11-17)31-15-24(28)13-9-8-12-19(24)30-3/h5-7,10-11,19,28H,4,8-9,12-13,15H2,1-3H3