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

Systemtic Name: methyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)O)OC)C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C([C@@H](NC2=S)C3=CC(=C(C=C3)O)OC)C(=O)OC)C)F

InChI

InChI=1S/C21H21FN2O4S/c1-11-5-7-14(10-15(11)22)24-12(2)18(20(26)28-4)19(23-21(24)29)13-6-8-16(25)17(9-13)27-3/h5-10,19,25H,1-4H3,(H,23,29)/t19-/m0/s1