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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

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