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

Systemtic Name: 2-methoxyethyl (6R)-6-(2-chloranyl-5-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-6-(2-chloro-5-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-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-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(2-chloro-5-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22ClN3O6S/c1-13-19(21(27)32-11-10-30-2)20(17-12-15(26(28)29)6-9-18(17)23)24-22(33)25(13)14-4-7-16(31-3)8-5-14/h4-9,12,20H,10-11H2,1-3H3,(H,24,33)/t20-/m0/s1