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

Systemtic Name: ethyl 5-cyano-6-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-4-23-16(21)13-8-12(9-17)15(19-11(13)2)24-10-14(20)18-6-5-7-22-3/h8H,4-7,10H2,1-3H3,(H,18,20)