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

Systemtic Name: methyl (6R)-3-(4-fluorophenyl)-4-methyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3-allyloxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-fluorophenyl)-4-methyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(4-fluorophenyl)-4-methyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-allyloxyphenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CC(=CC=C3)OCC=C)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC=C(C=C2)F)C3=CC(=CC=C3)OCC=C)C(=O)OC

InChI

InChI=1S/C22H21FN2O3S/c1-4-12-28-18-7-5-6-15(13-18)20-19(21(26)27-3)14(2)25(22(29)24-20)17-10-8-16(23)9-11-17/h4-11,13,20H,1,12H2,2-3H3,(H,24,29)/t20-/m1/s1