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

Systemtic Name: [2-azanyl-7-methyl-6-(2-methylpropoxy)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Openeye Name: (2-amino-6-isobutoxy-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: [2-amino-7-methyl-6-(2-methylpropoxy)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid IUPAC Name: [2-amino-7-methyl-6-(2-methylpropoxy)-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Traditional Name: (2-amino-6-isobutoxy-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C13H19N2O5PS MolecularWeight: 346.339121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1OCC(C)C)OCP(=O)(O)O)N=C(S2)N

Isomeric SMILES

CC1=C2C(=C(C=C1OCC(C)C)OCP(=O)(O)O)N=C(S2)N

InChI

InChI=1S/C13H19N2O5PS/c1-7(2)5-19-9-4-10(20-6-21(16,17)18)11-12(8(9)3)22-13(14)15-11/h4,7H,5-6H2,1-3H3,(H2,14,15)(H2,16,17,18)