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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[2-(tert-amylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

InChI

InChI=1S/C17H23N3O3S/c1-6-17(4,5)20-14(21)10-24-15-12(9-18)8-13(11(3)19-15)16(22)23-7-2/h8H,6-7,10H2,1-5H3,(H,20,21)