methyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(4-ethoxyphenyl)-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-fluorophenyl)-4-methyl-3-p-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)F)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC(=CC=C3)F)C(=O)OC)C

InChI

InChI=1S/C21H21FN2O3S/c1-4-27-17-10-8-16(9-11-17)24-13(2)18(20(25)26-3)19(23-21(24)28)14-6-5-7-15(22)12-14/h5-12,19H,4H2,1-3H3,(H,23,28)/t19-/m1/s1