[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[2-keto-2-(propylamino)ethyl]amino]ethyl] ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)COC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CCCNC(=O)CNC(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C14H19N3O4S/c1-3-6-15-11(18)8-17-12(19)9-21-14(20)10-5-4-7-16-13(10)22-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18)(H,17,19)