2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-dibenzothiophen-4-yl-ethanoic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-dibenzothiophen-4-yl-ethanoic acid Openeye Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-dibenzothiophen-4-yl-acetic acid CAS Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-(4-dibenzothiophenyl)acetic acid IUPAC Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-dibenzothiophen-4-ylacetic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-dibenzothiophen-4-yl-acetic acid Formula: C22H13F6NO2S MolecularWeight: 469.399539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C(C(=O)O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C(C(=O)O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H13F6NO2S/c23-21(24,25)11-8-12(22(26,27)28)10-13(9-11)29-18(20(30)31)16-6-3-5-15-14-4-1-2-7-17(14)32-19(15)16/h1-10,18,29H,(H,30,31)