[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C15H21N3O4S/c1-4-7-16-13(20)10(2)18-12(19)9-22-15(21)11-6-5-8-17-14(11)23-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,20)(H,18,19)/t10-/m0/s1