2-[6-(dihydroxyboranyl)-1,3-benzothiazol-2-yl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[6-(dihydroxyboranyl)-1,3-benzothiazol-2-yl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(6-borono-1,3-benzothiazol-2-yl)-5,5-dimethyl-4H-thiazole-4-carboxylic acid CAS Name: 2-(6-borono-1,3-benzothiazol-2-yl)-5,5-dimethyl-4H-thiazole-4-carboxylic acid IUPAC Name: 2-(6-borono-1,3-benzothiazol-2-yl)-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(6-borono-1,3-benzothiazol-2-yl)-5,5-dimethyl-2-thiazoline-4-carboxylic acid Formula: C13H13BN2O4S2 MolecularWeight: 336.19432

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(C=C1)N=C(S2)C3=NC(C(S3)(C)C)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC2=C(C=C1)N=C(S2)C3=NC(C(S3)(C)C)C(=O)O)(O)O

InChI

InChI=1S/C13H13BN2O4S2/c1-13(2)9(12(17)18)16-11(22-13)10-15-7-4-3-6(14(19)20)5-8(7)21-10/h3-5,9,19-20H,1-2H3,(H,17,18)