(2-azanyl-7-methyl-6-methylsulfanyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-methyl-6-methylsulfanyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-methyl-6-methylsulfanyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: [2-amino-7-methyl-6-(methylthio)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid IUPAC Name: (2-amino-7-methyl-6-methylsulfanyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: [2-amino-7-methyl-6-(methylthio)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Formula: C10H13N2O4PS2 MolecularWeight: 320.324981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC

Isomeric SMILES

CC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC

InChI

InChI=1S/C10H13N2O4PS2/c1-5-7(18-2)3-6(16-4-17(13,14)15)8-9(5)19-10(11)12-8/h3H,4H2,1-2H3,(H2,11,12)(H2,13,14,15)