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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-5-13(6-2)20-15(21)10-24-16-12(9-18)8-14(11(4)19-16)17(22)23-7-3/h8,13H,5-7,10H2,1-4H3,(H,20,21)