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

Systemtic Name: [2-azanyl-7-(furan-2-yl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Openeye Name: [2-amino-7-(2-furyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid CAS Name: [2-amino-7-(2-furanyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid IUPAC Name: [2-amino-7-(furan-2-yl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Traditional Name: [2-amino-7-(2-furyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Formula: C13H10N3O5PS2 MolecularWeight: 383.339361

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C=C(C3=C2SC(=N3)N)OCP(=O)(O)O)SC#N

Isomeric SMILES

C1=COC(=C1)C2=C(C=C(C3=C2SC(=N3)N)OCP(=O)(O)O)SC#N

InChI

InChI=1S/C13H10N3O5PS2/c14-5-23-9-4-8(21-6-22(17,18)19)11-12(24-13(15)16-11)10(9)7-2-1-3-20-7/h1-4H,6H2,(H2,15,16)(H2,17,18,19)