[8-ethyl-6-methyl-3-[(4-methyl-3-methylsulfonyloxy-pyridin-2-yl)carbonylamino]-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate

Systemtic Name: [8-ethyl-6-methyl-3-[(4-methyl-3-methylsulfonyloxy-pyridin-2-yl)carbonylamino]-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate Openeye Name: [8-ethyl-6-methyl-3-[(4-methyl-3-methylsulfonyloxy-pyridine-2-carbonyl)amino]-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [8-ethyl-6-methyl-3-[[(4-methyl-3-methylsulfonyloxy-2-pyridinyl)-oxomethyl]amino]-4,9-dioxo-1,5-dioxonan-7-yl] ester IUPAC Name: [8-ethyl-6-methyl-3-[(4-methyl-3-methylsulfonyloxypyridine-2-carbonyl)amino]-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [8-ethyl-4,9-diketo-6-methyl-3-[(4-methyl-3-methylsulfonyloxy-picolinoyl)amino]-1,5-dioxonan-7-yl] ester Formula: C22H30N2O10S MolecularWeight: 514.546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OS(=O)(=O)C)C)C)OC(=O)C(C)C

Isomeric SMILES

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OS(=O)(=O)C)C)C)OC(=O)C(C)C

InChI

InChI=1S/C22H30N2O10S/c1-7-14-18(33-20(26)11(2)3)13(5)32-22(28)15(10-31-21(14)27)24-19(25)16-17(34-35(6,29)30)12(4)8-9-23-16/h8-9,11,13-15,18H,7,10H2,1-6H3,(H,24,25)