methyl 4-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C18H13F3N2O3S/c1-25-16(24)12-6-4-11(5-7-12)10-27-17-22-13(14-3-2-8-26-14)9-15(23-17)18(19,20)21/h2-9H,10H2,1H3