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

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-[(1,1-dioxo-3-thiolanyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)amino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

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