4-oxidanylidene-5-[[(4S)-1,3-thiazolidin-3-ium-4-yl]carbonylamino]-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-5-[[(4S)-1,3-thiazolidin-3-ium-4-yl]carbonylamino]-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-[[(4S)-thiazolidin-3-ium-4-carbonyl]amino]-3H-phthalazin-1-olate CAS Name: 4-oxo-5-[[oxo-[(4S)-4-thiazolidin-3-iumyl]methyl]amino]-3H-phthalazin-1-olate IUPAC Name: 4-oxo-5-[[(4S)-1,3-thiazolidin-3-ium-4-carbonyl]amino]-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(4S)-thiazolidin-3-ium-4-carbonyl]amino]-3H-phthalazin-1-olate Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CS1)C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

Isomeric SMILES

C1[C@@H]([NH2+]CS1)C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

InChI

InChI=1S/C12H12N4O3S/c17-10-6-2-1-3-7(9(6)12(19)16-15-10)14-11(18)8-4-20-5-13-8/h1-3,8,13H,4-5H2,(H,14,18)(H,15,17)(H,16,19)/t8-/m1/s1