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

Systemtic Name: 2-methoxyethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-fluoro-4-methylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3-(3-fluoro-4-methylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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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)OCCOC)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)OCCOC)C)F

InChI

InChI=1S/C22H22FN3O5S/c1-13-8-9-15(12-17(13)23)25-14(2)19(21(27)31-11-10-30-3)20(24-22(25)32)16-6-4-5-7-18(16)26(28)29/h4-9,12,20H,10-11H2,1-3H3,(H,24,32)/t20-/m0/s1