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

Systemtic Name: (2-azanyl-7-propoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-propoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-propoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-propoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-propoxy-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C12H14N3O5PS2 MolecularWeight: 375.360421

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

Isomeric SMILES

CCCOC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

InChI

InChI=1S/C12H14N3O5PS2/c1-2-3-19-10-8(22-5-13)4-7(20-6-21(16,17)18)9-11(10)23-12(14)15-9/h4H,2-3,6H2,1H3,(H2,14,15)(H2,16,17,18)