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

Systemtic Name: 2-methoxyethyl (6R)-6-(2-chloranyl-5-nitro-phenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-6-(2-chloro-5-nitro-phenyl)-3-(4-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-6-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(2-chloro-5-nitro-phenyl)-3-(4-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H19Cl2N3O5S MolecularWeight: 496.36366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O5S/c1-12-18(20(27)31-10-9-30-2)19(16-11-15(26(28)29)7-8-17(16)23)24-21(32)25(12)14-5-3-13(22)4-6-14/h3-8,11,19H,9-10H2,1-2H3,(H,24,32)/t19-/m0/s1