2-[5-ethoxycarbonyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-ethoxycarbonyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-ethoxycarbonyl-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-ethoxycarbonyl-4-(4-fluorophenyl)-6-methyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-ethoxycarbonyl-4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-carbethoxy-4-(4-fluorophenyl)-6-methyl-pyrimidin-2-yl]thio]acetic acid Formula: C16H15FN2O4S MolecularWeight: 350.364703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)SCC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)SCC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN2O4S/c1-3-23-15(22)13-9(2)18-16(24-8-12(20)21)19-14(13)10-4-6-11(17)7-5-10/h4-7H,3,8H2,1-2H3,(H,20,21)