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

Systemtic Name: (4-ethanoylphenyl) 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H18N2O6S/c1-11(20)12-2-4-14(5-3-12)25-17(22)15-6-7-16(21)19(18-15)13-8-9-26(23,24)10-13/h2-5,13H,6-10H2,1H3/t13-/m0/s1