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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(isopropylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-5-21-15(20)12-6-11(7-16)14(18-10(12)4)22-8-13(19)17-9(2)3/h6,9H,5,8H2,1-4H3,(H,17,19)