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

Systemtic Name: 2-(6-sulfooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(6-sulfooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid CAS Name: 2-(6-sulfooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid IUPAC Name: 2-(6-sulfooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(6-sulfoxy-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylic acid Formula: C11H8N2O6S3 MolecularWeight: 360.38602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H8N2O6S3/c14-11(15)7-4-20-9(13-7)10-12-6-2-1-5(3-8(6)21-10)19-22(16,17)18/h1-3,7H,4H2,(H,14,15)(H,16,17,18)