ethyl (6S)-6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(4-fluorophenyl)-4-methyl-6-o-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(N(C(=S)N2)C3=CC=C(C=C3)F)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2C(=C(N(C(=S)N2)C3=CC=C(C=C3)F)C)C(=O)OCC

InChI

InChI=1S/C22H23FN2O3S/c1-4-27-18-9-7-6-8-17(18)20-19(21(26)28-5-2)14(3)25(22(29)24-20)16-12-10-15(23)11-13-16/h6-13,20H,4-5H2,1-3H3,(H,24,29)/t20-/m0/s1