3-[(2-azanyl-6-bromanyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(2-azanyl-6-bromanyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid Openeye Name: [1-[(2-amino-6-bromo-1,3-benzothiazol-4-yl)oxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(2-amino-6-bromo-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(2-amino-6-bromo-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid Traditional Name: [1-[(2-amino-6-bromo-1,3-benzothiazol-4-yl)oxy]-1-ethyl-propyl]phosphonic acid Formula: C12H16BrN2O4PS MolecularWeight: 395.209201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=CC(=CC2=C1N=C(S2)N)Br)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=CC(=CC2=C1N=C(S2)N)Br)P(=O)(O)O

InChI

InChI=1S/C12H16BrN2O4PS/c1-3-12(4-2,20(16,17)18)19-8-5-7(13)6-9-10(8)15-11(14)21-9/h5-6H,3-4H2,1-2H3,(H2,14,15)(H2,16,17,18)