2,2,2-tris(fluoranyl)-1-(6-oxidanyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2,2,2-tris(fluoranyl)-1-(6-oxidanyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2,2,2-trifluoro-1-[6-hydroxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2,2,2-trifluoro-1-(6-hydroxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2,2,2-trifluoro-1-(6-hydroxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2,2,2-trifluoro-1-[6-hydroxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C15H12F3NO2S MolecularWeight: 327.32149

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=C(C=C2)O)C3=CC=CS3)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(C(C2=C1C=C(C=C2)O)C3=CC=CS3)C(=O)C(F)(F)F

InChI

InChI=1S/C15H12F3NO2S/c16-15(17,18)14(21)19-6-5-9-8-10(20)3-4-11(9)13(19)12-2-1-7-22-12/h1-4,7-8,13,20H,5-6H2