3-[(2-azanyl-6-bromanyl-7-fluoranyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(2-azanyl-6-bromanyl-7-fluoranyl-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid Openeye Name: [1-[(2-amino-6-bromo-7-fluoro-1,3-benzothiazol-4-yl)oxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(2-amino-6-bromo-7-fluoro-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(2-amino-6-bromo-7-fluoro-1,3-benzothiazol-4-yl)oxy]pentan-3-ylphosphonic acid Traditional Name: [1-[(2-amino-6-bromo-7-fluoro-1,3-benzothiazol-4-yl)oxy]-1-ethyl-propyl]phosphonic acid Formula: C12H15BrFN2O4PS MolecularWeight: 413.199664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=CC(=C(C2=C1N=C(S2)N)F)Br)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=CC(=C(C2=C1N=C(S2)N)F)Br)P(=O)(O)O

InChI

InChI=1S/C12H15BrFN2O4PS/c1-3-12(4-2,21(17,18)19)20-7-5-6(13)8(14)10-9(7)16-11(15)22-10/h5H,3-4H2,1-2H3,(H2,15,16)(H2,17,18,19)