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

Systemtic Name: 3-[4-[5-ethoxycarbonyl-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid Openeye Name: 3-[4-[5-ethoxycarbonyl-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid CAS Name: 3-[4-[5-ethoxycarbonyl-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid IUPAC Name: 3-[4-[5-ethoxycarbonyl-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]phenoxy]propanoic acid Traditional Name: 3-[4-[5-carbethoxy-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]phenoxy]propionic acid Formula: C24H25FN2O5S MolecularWeight: 472.529103

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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)C)F)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O5S/c1-4-31-23(30)21-15(3)27(17-8-5-14(2)19(25)13-17)24(33)26-22(21)16-6-9-18(10-7-16)32-12-11-20(28)29/h5-10,13,22H,4,11-12H2,1-3H3,(H,26,33)(H,28,29)