2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(2-oxidanylidene-2-propan-2-yloxy-ethyl)pyrimidin-1-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

Isomeric SMILES

CC(C)OC(=O)CC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

InChI

InChI=1S/C18H19FN2O5S/c1-11(2)26-16(24)7-13-8-21(9-15(22)23)18(20-17(13)25)27-10-12-3-5-14(19)6-4-12/h3-6,8,11H,7,9-10H2,1-2H3,(H,22,23)