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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(tert-amylamino)-2-keto-ethyl]thio]nicotinic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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