[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 1-pyrazin-2-ylpiperidine-4-carboxylate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 1-pyrazin-2-ylpiperidine-4-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-1-methyl-2-oxo-ethyl] 1-pyrazin-2-ylpiperidine-4-carboxylate CAS Name: 1-(2-pyrazinyl)-4-piperidinecarboxylic acid [1-[(1,1-dioxo-3-thiolanyl)-ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 1-pyrazin-2-ylpiperidine-4-carboxylate Traditional Name: 1-pyrazin-2-ylisonipecotic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C19H28N4O5S/c1-3-23(16-6-11-29(26,27)13-16)18(24)14(2)28-19(25)15-4-9-22(10-5-15)17-12-20-7-8-21-17/h7-8,12,14-16H,3-6,9-11,13H2,1-2H3