3-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C16H16N3O6S- MolecularWeight: 378.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-18(10-6-7-26(24,25)9-10)13(20)8-19-15(21)12-5-3-2-4-11(12)14(17-19)16(22)23/h2-5,10H,6-9H2,1H3,(H,22,23)/p-1/t10-/m0/s1