ethyl 5-cyano-2-methyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-(2-morpholino-2-oxo-ethyl)sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-2-morpholino-ethyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCOCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCOCC2)C

InChI

InChI=1S/C16H19N3O4S/c1-3-23-16(21)13-8-12(9-17)15(18-11(13)2)24-10-14(20)19-4-6-22-7-5-19/h8H,3-7,10H2,1-2H3