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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O4S/c1-6-30-22(27)19-14(3)26(15-11-10-13(2)17(24)12-15)23(31)25-20(19)16-8-7-9-18(28-4)21(16)29-5/h7-12,20H,6H2,1-5H3,(H,25,31)/t20-/m0/s1