methyl 5-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H11F3N2O4S MolecularWeight: 384.32975

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C16H11F3N2O4S/c1-23-14(22)12-5-4-9(25-12)8-26-15-20-10(11-3-2-6-24-11)7-13(21-15)16(17,18)19/h2-7H,8H2,1H3