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

Systemtic Name: methyl 2-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H14F3N3O3S2 MolecularWeight: 453.45797

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C19H14F3N3O3S2/c1-28-17(27)11-5-2-3-6-12(11)23-16(26)10-30-18-24-13(14-7-4-8-29-14)9-15(25-18)19(20,21)22/h2-9H,10H2,1H3,(H,23,26)