ethyl 5-cyano-6-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)C2(CCCCC2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)C2(CCCCC2)C#N)C

InChI

InChI=1S/C20H24N4O3S/c1-4-27-19(26)16-10-15(11-21)18(23-14(16)2)28-12-17(25)24(3)20(13-22)8-6-5-7-9-20/h10H,4-9,12H2,1-3H3