(2-azanyl-7-ethyl-6-sulfanylidene-7H-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-ethyl-6-sulfanylidene-7H-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-ethyl-6-thioxo-7H-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-ethyl-6-sulfanylidene-7H-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-ethyl-6-sulfanylidene-7H-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-ethyl-6-thioxo-7H-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C10H13N2O4PS2 MolecularWeight: 320.324981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=S)C=C(C2=C1SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

CCC1C(=S)C=C(C2=C1SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C10H13N2O4PS2/c1-2-5-7(18)3-6(16-4-17(13,14)15)8-9(5)19-10(11)12-8/h3,5H,2,4H2,1H3,(H2,11,12)(H2,13,14,15)