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

Systemtic Name: 3-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[(3S)-1,1-dioxo-3-thiolanyl]-propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[[(3S)-1,1-diketothiolan-3-yl]-propyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H20N3O6S- MolecularWeight: 406.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-2-8-20(12-7-9-28(26,27)11-12)15(22)10-21-17(23)14-6-4-3-5-13(14)16(19-21)18(24)25/h3-6,12H,2,7-11H2,1H3,(H,24,25)/p-1/t12-/m0/s1