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

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)N(C)C2(CCCCC2)C#N)C

InChI

InChI=1S/C21H26N4O3S/c1-5-28-20(27)17-11-16(12-22)18(24-14(17)2)29-15(3)19(26)25(4)21(13-23)9-7-6-8-10-21/h11,15H,5-10H2,1-4H3/t15-/m1/s1