3-[4-[5-ethoxycarbonyl-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid

Systemtic Name: 3-[4-[5-ethoxycarbonyl-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid Openeye Name: 3-[4-[5-ethoxycarbonyl-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid CAS Name: 3-[4-[5-ethoxycarbonyl-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid IUPAC Name: 3-[4-[5-ethoxycarbonyl-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid Traditional Name: 3-[4-[5-carbethoxy-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]phenoxy]propionic acid Formula: C23H23FN2O5S MolecularWeight: 458.502523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)OCCC(=O)O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)OCCC(=O)O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H23FN2O5S/c1-3-30-22(29)20-14(2)26(17-8-6-16(24)7-9-17)23(32)25-21(20)15-4-10-18(11-5-15)31-13-12-19(27)28/h4-11,21H,3,12-13H2,1-2H3,(H,25,32)(H,27,28)