trisodium (4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

Systemtic Name: trisodium (4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate Openeye Name: trisodium (4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate CAS Name: trisodium (4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate IUPAC Name: trisodium (4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate Traditional Name: trisodium (4S)-2-(6-phosphato-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylate Formula: C11H6N2Na3O6PS2 MolecularWeight: 426.248211

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H9N2O6PS2.3Na/c14-11(15)7-4-21-9(13-7)10-12-6-2-1-5(3-8(6)22-10)19-20(16,17)18;;;/h1-3,7H,4H2,(H,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t7-;;;/m1.../s1