2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]pyrimidin-4-yl]oxyacetic acid CAS Name: 2-[[2-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]pyrimidin-4-yl]oxyacetic acid Traditional Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]pyrimidin-4-yl]oxyacetic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NC=CC(=N2)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NC=CC(=N2)OCC(=O)O

InChI

InChI=1S/C18H20N2O5S/c1-3-4-14-12(5-6-13(11(2)21)17(14)24)10-26-18-19-8-7-15(20-18)25-9-16(22)23/h5-8,24H,3-4,9-10H2,1-2H3,(H,22,23)