(2-azanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-8-yl)methylphosphonic acid

Systemtic Name: (2-azanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-8-yl)methylphosphonic acid Openeye Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-8-yl)methylphosphonic acid CAS Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-8-yl)methylphosphonic acid IUPAC Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-8-yl)methylphosphonic acid Traditional Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-8-yl)methylphosphonic acid Formula: C12H13N2O3PS MolecularWeight: 296.281981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O3PS/c13-12-14-11-9-5-7(6-18(15,16)17)1-2-8(9)3-4-10(11)19-12/h1-2,5H,3-4,6H2,(H2,13,14)(H2,15,16,17)