[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-3-pyridinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]nicotinic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NC(CC)CC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NC(CC)CC

InChI

InChI=1S/C20H31N3O4S/c1-5-14(6-2)22-17(24)12-27-20(26)16-10-9-11-21-19(16)28-13-18(25)23-15(7-3)8-4/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,22,24)(H,23,25)