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

Systemtic Name: methyl (6R)-6-(2-chloranyl-5-nitro-phenyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(2-chloro-5-nitro-phenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(2-chloro-5-nitrophenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(2-chloro-5-nitrophenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(2-chloro-5-nitro-phenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H17ClFN3O4S MolecularWeight: 449.883083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3O4S/c1-10-4-5-12(9-16(10)22)24-11(2)17(19(26)29-3)18(23-20(24)30)14-8-13(25(27)28)6-7-15(14)21/h4-9,18H,1-3H3,(H,23,30)/t18-/m0/s1