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

Systemtic Name: (2-azanyl-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C9H11N2O4PS MolecularWeight: 274.233401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCP(=O)(O)O)N=C(S2)N

Isomeric SMILES

CC1=C2C(=C(C=C1)OCP(=O)(O)O)N=C(S2)N

InChI

InChI=1S/C9H11N2O4PS/c1-5-2-3-6(15-4-16(12,13)14)7-8(5)17-9(10)11-7/h2-3H,4H2,1H3,(H2,10,11)(H2,12,13,14)