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

Systemtic Name: methyl (6R)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-fluoro-4-methylphenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-fluoro-4-methylphenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C)F

InChI

InChI=1S/C20H18FN3O4S/c1-11-7-8-14(10-16(11)21)23-12(2)17(19(25)28-3)18(22-20(23)29)13-5-4-6-15(9-13)24(26)27/h4-10,18H,1-3H3,(H,22,29)/t18-/m1/s1