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

Systemtic Name: ethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-fluoro-4-methylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-fluoro-4-methylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O4S/c1-5-29-21(27)19-13(3)25(15-8-6-12(2)16(23)11-15)22(30)24-20(19)14-7-9-17(26)18(10-14)28-4/h6-11,20,26H,5H2,1-4H3,(H,24,30)/t20-/m0/s1