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

Systemtic Name: 2-methoxyethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-fluoro-4-methylphenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-(3-fluoro-4-methylphenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-fluoro-4-methyl-phenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H22FN3O6S MolecularWeight: 475.489983

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(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O6S/c1-12-4-6-15(11-16(12)23)25-13(2)19(21(28)32-9-8-31-3)20(24-22(25)33)14-5-7-18(27)17(10-14)26(29)30/h4-7,10-11,20,27H,8-9H2,1-3H3,(H,24,33)/t20-/m0/s1