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

Systemtic Name: ethyl (6R)-6-(2-chloranyl-5-nitro-phenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H20ClN3O5S/c1-4-30-20(26)18-12(2)24(13-5-8-15(29-3)9-6-13)21(31)23-19(18)16-11-14(25(27)28)7-10-17(16)22/h5-11,19H,4H2,1-3H3,(H,23,31)/t19-/m0/s1