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

Systemtic Name: 3-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H18N3O6S- MolecularWeight: 392.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-2-19(11-7-8-27(25,26)10-11)14(21)9-20-16(22)13-6-4-3-5-12(13)15(18-20)17(23)24/h3-6,11H,2,7-10H2,1H3,(H,23,24)/p-1/t11-/m0/s1