[[4-cyano-5-(2-phenylazanylethoxy)-3-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid

Systemtic Name: [[4-cyano-5-(2-phenylazanylethoxy)-3-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid Openeye Name: [[5-(2-anilinoethoxy)-4-cyano-3-(trifluoromethyl)benzothiophen-2-yl]sulfonylamino]methylphosphonic acid CAS Name: [[5-(2-anilinoethoxy)-4-cyano-3-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid IUPAC Name: [[5-(2-anilinoethoxy)-4-cyano-3-(trifluoromethyl)-1-benzothiophen-2-yl]sulfonylamino]methylphosphonic acid Traditional Name: [[5-(2-anilinoethoxy)-4-cyano-3-(trifluoromethyl)benzothiophen-2-yl]sulfonylamino]methylphosphonic acid Formula: C19H17F3N3O6PS2 MolecularWeight: 535.453751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCOC2=C(C3=C(C=C2)SC(=C3C(F)(F)F)S(=O)(=O)NCP(=O)(O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NCCOC2=C(C3=C(C=C2)SC(=C3C(F)(F)F)S(=O)(=O)NCP(=O)(O)O)C#N

InChI

InChI=1S/C19H17F3N3O6PS2/c20-19(21,22)17-16-13(10-23)14(31-9-8-24-12-4-2-1-3-5-12)6-7-15(16)33-18(17)34(29,30)25-11-32(26,27)28/h1-7,24-25H,8-9,11H2,(H2,26,27,28)