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

Systemtic Name: (4-methylphenyl) 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: p-tolyl 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-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=NN(C(=O)CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H18N2O5S/c1-11-2-4-13(5-3-11)23-16(20)14-6-7-15(19)18(17-14)12-8-9-24(21,22)10-12/h2-5,12H,6-10H2,1H3/t12-/m0/s1