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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[2-keto-2-(propylamino)ethyl]amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

Isomeric SMILES

CCCNC(=O)CNC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

InChI

InChI=1S/C17H22N4O4S/c1-4-6-19-14(22)9-20-15(23)10-26-16-12(8-18)7-13(11(3)21-16)17(24)25-5-2/h7H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,23)