(2-azanyl-6-ethyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-6-ethyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-6-ethyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-6-ethyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-6-ethyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-6-ethyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C10H13N2O4PS MolecularWeight: 288.259981

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

CCC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C10H13N2O4PS/c1-2-6-3-7(16-5-17(13,14)15)9-8(4-6)18-10(11)12-9/h3-4H,2,5H2,1H3,(H2,11,12)(H2,13,14,15)