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

Systemtic Name: 2-methoxyethyl (6R)-6-(2-chloranyl-5-nitro-phenyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C22H21ClFN3O5S MolecularWeight: 493.935643

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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)OCCOC)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)OCCOC)C)F

InChI

InChI=1S/C22H21ClFN3O5S/c1-12-4-5-14(11-18(12)24)26-13(2)19(21(28)32-9-8-31-3)20(25-22(26)33)16-10-15(27(29)30)6-7-17(16)23/h4-7,10-11,20H,8-9H2,1-3H3,(H,25,33)/t20-/m0/s1