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

Systemtic Name: 1,3-benzodioxol-5-yl 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=O)CCC(=N2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H16N2O7S/c19-15-4-2-12(17-18(15)10-5-6-26(21,22)8-10)16(20)25-11-1-3-13-14(7-11)24-9-23-13/h1,3,7,10H,2,4-6,8-9H2/t10-/m0/s1