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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(pentylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(pentylamino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(pentylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[2-(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-4-6-7-8-19-15(21)11-24-16-13(10-18)9-14(12(3)20-16)17(22)23-5-2/h9H,4-8,11H2,1-3H3,(H,19,21)