2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-5-propan-2-yloxycarbonyl-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-5-propan-2-yloxycarbonyl-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-isopropoxycarbonyl-6-methyl-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-5-[oxo(propan-2-yloxy)methyl]-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-5-propan-2-yloxycarbonylpyrimidin-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-5-isopropoxycarbonyl-4-keto-6-methyl-pyrimidin-1-yl]acetic acid Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1CC(=O)O)SCC2=CC=C(C=C2)F)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1CC(=O)O)SCC2=CC=C(C=C2)F)C(=O)OC(C)C

InChI

InChI=1S/C18H19FN2O5S/c1-10(2)26-17(25)15-11(3)21(8-14(22)23)18(20-16(15)24)27-9-12-4-6-13(19)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,22,23)