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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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