phenacyl 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: phenacyl 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: phenacyl 1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid phenacyl ester IUPAC Name: phenacyl 1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-6-keto-4,5-dihydropyridazine-3-carboxylic acid phenacyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=O)CCC(=N2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O6S/c20-15(12-4-2-1-3-5-12)10-25-17(22)14-6-7-16(21)19(18-14)13-8-9-26(23,24)11-13/h1-5,13H,6-11H2/t13-/m0/s1