[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxo-ethyl] 3,6-dimethylisoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3,6-dimethyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [2-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3,6-dimethylisoxazolo[5,4-b]pyridine-4-carboxylic acid [2-[4-(1,1-diketothiolan-3-yl)piperazino]-2-keto-ethyl] ester Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NO2)C)C(=C1)C(=O)OCC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NC2=C(C(=NO2)C)C(=C1)C(=O)OCC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C19H24N4O6S/c1-12-9-15(17-13(2)21-29-18(17)20-12)19(25)28-10-16(24)23-6-4-22(5-7-23)14-3-8-30(26,27)11-14/h9,14H,3-8,10-11H2,1-2H3