(2-azanyl-6-methoxy-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-6-methoxy-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-6-methoxy-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-6-methoxy-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-6-methoxy-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-6-methoxy-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C9H11N2O5PS MolecularWeight: 290.232801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C9H11N2O5PS/c1-15-5-2-6(16-4-17(12,13)14)8-7(3-5)18-9(10)11-8/h2-3H,4H2,1H3,(H2,10,11)(H2,12,13,14)