(4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Systemtic Name: (4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid Openeye Name: (4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid CAS Name: (4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid IUPAC Name: (4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid Traditional Name: (4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylic acid Formula: C11H9N2O6PS2 MolecularWeight: 360.302721

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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

C1[C@@H](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)/t7-/m1/s1