methyl (2R)-4-[2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyloxy]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyloxy]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-oxo-3H-phthalazine-1-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-[oxo-(4-oxo-3H-phthalazin-1-yl)methoxy]ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-oxo-3H-phthalazine-1-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-keto-3H-phthalazine-1-carbonyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H17N3O6S/c1-25-16(23)12-8-20(6-7-27-12)13(21)9-26-17(24)14-10-4-2-3-5-11(10)15(22)19-18-14/h2-5,12H,6-9H2,1H3,(H,19,22)/t12-/m1/s1