ethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-fluoro-4-methylphenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-fluoro-4-methylphenyl)-6-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(2-methoxyphenyl)-4-methyl-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:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2OC)C3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=CC=C2OC)C3=CC(=C(C=C3)C)F)C

InChI

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