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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-isobutyl-amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-isobutyl-amino]-2-keto-ethyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C22H29N3O6S/c1-4-10-25-21(27)18-8-6-5-7-17(18)20(23-25)22(28)31-13-19(26)24(12-15(2)3)16-9-11-32(29,30)14-16/h5-8,15-16H,4,9-14H2,1-3H3