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

Systemtic Name: 2-methoxyethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3-(3-chloro-4-fluoro-phenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-chloro-4-fluoro-phenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H19ClFN3O6S MolecularWeight: 495.908463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C21H19ClFN3O6S/c1-11-18(20(28)32-8-7-31-2)19(12-3-6-17(27)16(9-12)26(29)30)24-21(33)25(11)13-4-5-15(23)14(22)10-13/h3-6,9-10,19,27H,7-8H2,1-2H3,(H,24,33)/t19-/m0/s1