propan-2-yl 4-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H18F3N3O3S2 MolecularWeight: 481.51113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C21H18F3N3O3S2/c1-12(2)30-19(29)13-5-7-14(8-6-13)25-18(28)11-32-20-26-15(16-4-3-9-31-16)10-17(27-20)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,28)