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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O6S/c1-24(16-11-12-32(29,30)14-16)19(26)13-31-22(28)20-17-9-5-6-10-18(17)21(27)25(23-20)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3/t16-/m0/s1