ethyl 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[2-(4-chlorophenyl)sulfonylethylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[2-(4-chlorophenyl)sulfonylethylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C18H17ClN2O4S2/c1-3-25-18(22)16-10-13(11-20)17(21-12(16)2)26-8-9-27(23,24)15-6-4-14(19)5-7-15/h4-7,10H,3,8-9H2,1-2H3