ethyl 5-cyano-2-methyl-6-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(=O)NC2CCCCC2C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C

InChI

InChI=1S/C20H26N4O4S/c1-4-28-19(26)15-9-14(10-21)18(22-13(15)3)29-11-17(25)24-20(27)23-16-8-6-5-7-12(16)2/h9,12,16H,4-8,11H2,1-3H3,(H2,23,24,25,27)/t12-,16-/m0/s1