[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 6-methoxypyridine-3-carboxylate

Systemtic Name: [2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 6-methoxypyridine-3-carboxylate Openeye Name: [2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxo-ethyl] 6-methoxypyridine-3-carboxylate CAS Name: 6-methoxy-3-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] 6-methoxypyridine-3-carboxylate Traditional Name: 6-methoxynicotinic acid [2-[4-(1,1-diketothiolan-3-yl)piperazino]-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H23N3O6S/c1-25-15-3-2-13(10-18-15)17(22)26-11-16(21)20-7-5-19(6-8-20)14-4-9-27(23,24)12-14/h2-3,10,14H,4-9,11-12H2,1H3