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

Systemtic Name: 2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate Openeye Name: 2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate CAS Name: 2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate IUPAC Name: 2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate Traditional Name: 2-(6-phosphato-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylate Formula: C11H6N2O6PS2-3 MolecularWeight: 357.278901

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C11H9N2O6PS2/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)/p-3