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

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

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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)C(=O)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3S/c1-14-18(20(25)27-13-12-26-2)19(15-6-4-3-5-7-15)23-21(28)24(14)17-10-8-16(22)9-11-17/h3-11,19H,12-13H2,1-2H3,(H,23,28)/t19-/m1/s1