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

Systemtic Name: 2-methoxyethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(3-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O4S/c1-14-8-9-17(13-19(14)24)26-15(2)20(22(27)30-11-10-28-3)21(25-23(26)31)16-6-5-7-18(12-16)29-4/h5-9,12-13,21H,10-11H2,1-4H3,(H,25,31)/t21-/m0/s1