[2-azanyl-7-fluoranyl-6-(3-thiocyanatothiophen-2-yl)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid

Systemtic Name: [2-azanyl-7-fluoranyl-6-(3-thiocyanatothiophen-2-yl)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Openeye Name: [2-amino-7-fluoro-6-(3-thiocyanato-2-thienyl)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid CAS Name: [2-amino-7-fluoro-6-(3-thiocyanato-2-thiophenyl)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid IUPAC Name: [2-amino-7-fluoro-6-(3-thiocyanatothiophen-2-yl)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Traditional Name: [2-amino-7-fluoro-6-(3-thiocyanato-2-thienyl)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Formula: C13H9FN3O4PS3 MolecularWeight: 417.395424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1SC#N)C2=CC(=C3C(=C2F)SC(=N3)N)OCP(=O)(O)O

Isomeric SMILES

C1=CSC(=C1SC#N)C2=CC(=C3C(=C2F)SC(=N3)N)OCP(=O)(O)O

InChI

InChI=1S/C13H9FN3O4PS3/c14-9-6(11-8(24-4-15)1-2-23-11)3-7(21-5-22(18,19)20)10-12(9)25-13(16)17-10/h1-3H,5H2,(H2,16,17)(H2,18,19,20)