(2-azanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-9-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-9-yl)oxymethylphosphonic acid Openeye Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-9-yl)oxymethylphosphonic acid CAS Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-9-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-9-yl)oxymethylphosphonic acid Traditional Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-9-yl)oxymethylphosphonic acid Formula: C12H13N2O4PS MolecularWeight: 312.281381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=CC=C3OCP(=O)(O)O)N=C(S2)N

Isomeric SMILES

C1CC2=C(C3=C1C=CC=C3OCP(=O)(O)O)N=C(S2)N

InChI

InChI=1S/C12H13N2O4PS/c13-12-14-11-9(20-12)5-4-7-2-1-3-8(10(7)11)18-6-19(15,16)17/h1-3H,4-6H2,(H2,13,14)(H2,15,16,17)