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

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC(C)(C#N)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-7-26-18(25)15-8-14(9-20)17(22-12(15)4)27-13(5)16(24)23-19(6,10-21)11(2)3/h8,11,13H,7H2,1-6H3,(H,23,24)/t13-,19-/m1/s1