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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)C)F)C)C(=O)OC)O

Isomeric SMILES

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

InChI

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