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

Systemtic Name: ethyl 5-cyano-6-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-6-25-17(24)14-7-13(8-19)16(21-12(14)4)26-9-15(23)22-18(5,10-20)11(2)3/h7,11H,6,9H2,1-5H3,(H,22,23)/t18-/m1/s1