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

Systemtic Name: 3-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[cyclopentyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[cyclopentyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H23N3O6S/c24-17(23(13-5-1-2-6-13)14-9-10-30(28,29)12-14)11-22-19(25)16-8-4-3-7-15(16)18(21-22)20(26)27/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,26,27)