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

Systemtic Name: 2-[5-ethoxycarbonyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-ethoxycarbonyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-ethoxycarbonyl-2-[(4-fluorophenyl)methylthio]-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-ethoxycarbonyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-carbethoxy-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid Formula: C16H15FN2O5S MolecularWeight: 366.364103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

InChI

InChI=1S/C16H15FN2O5S/c1-2-24-15(23)12-7-19(8-13(20)21)16(18-14(12)22)25-9-10-3-5-11(17)6-4-10/h3-7H,2,8-9H2,1H3,(H,20,21)