[6-(6-methoxypyridazin-3-yl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [6-(6-methoxypyridazin-3-yl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [6-(6-methoxypyridazin-3-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [6-(6-methoxy-3-pyridazinyl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester IUPAC Name: [6-(6-methoxypyridazin-3-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [7-keto-6-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NN=C(C=C4)OC)OCCS3

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NN=C(C=C4)OC)OCCS3

InChI

InChI=1S/C17H21N5O5S/c1-20-5-7-21(8-6-20)17(24)27-16-14-13(26-9-10-28-14)15(23)22(16)11-3-4-12(25-2)19-18-11/h3-4,16H,5-10H2,1-2H3