ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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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)CC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-8-26-18(25)15-9-14(10-21)17(22-13(15)2)27-11-16(24)23-20(6,7)12-19(3,4)5/h9H,8,11-12H2,1-7H3,(H,23,24)