butyl 4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C20H20F3NO3S MolecularWeight: 411.43791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H20F3NO3S/c1-2-3-11-27-19(26)14-7-9-16(10-8-14)24-18(25)13-28-17-6-4-5-15(12-17)20(21,22)23/h4-10,12H,2-3,11,13H2,1H3,(H,24,25)