3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N4O4S/c28-19(13-27-22(29)16-8-2-1-7-15(16)20(25-27)23(30)31)26-11-5-6-14(12-26)21-24-17-9-3-4-10-18(17)32-21/h1-4,7-10,14H,5-6,11-13H2,(H,30,31)/t14-/m0/s1