4-[[2,2,2-tris(fluoranyl)-1-thiophen-2-yl-ethyl]amino]benzoic acid

Systemtic Name: 4-[[2,2,2-tris(fluoranyl)-1-thiophen-2-yl-ethyl]amino]benzoic acid Openeye Name: 4-[[2,2,2-trifluoro-1-(2-thienyl)ethyl]amino]benzoic acid CAS Name: 4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]benzoic acid IUPAC Name: 4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]benzoic acid Traditional Name: 4-[[2,2,2-trifluoro-1-(2-thienyl)ethyl]amino]benzoic acid Formula: C13H10F3NO2S MolecularWeight: 301.28421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C(F)(F)F)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(C(F)(F)F)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H10F3NO2S/c14-13(15,16)11(10-2-1-7-20-10)17-9-5-3-8(4-6-9)12(18)19/h1-7,11,17H,(H,18,19)