[2-[2-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoylamino]ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoylamino]ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-[[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]ethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-[[2-[[2-(methylthio)-3-pyridinyl]-oxomethoxy]-1-oxoethyl]amino]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[2-[[2-[2-(methylthio)nicotinoyl]oxyacetyl]amino]ethylamino]ethyl] ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C20H22N4O6S2/c1-31-17-13(5-3-7-23-17)19(27)29-11-15(25)21-9-10-22-16(26)12-30-20(28)14-6-4-8-24-18(14)32-2/h3-8H,9-12H2,1-2H3,(H,21,25)(H,22,26)