butyl 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S/c1-2-3-10-27-16(26)12-4-6-13(7-5-12)23-15(25)11-28-17-22-9-8-14(24-17)18(19,20)21/h4-9H,2-3,10-11H2,1H3,(H,23,25)