ethyl (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-4-methyl-6-(2-nitrophenyl)-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-(2-nitrophenyl)-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-4-28-20(25)18-14(3)23(15-11-9-13(2)10-12-15)21(29)22-19(18)16-7-5-6-8-17(16)24(26)27/h5-12,19H,4H2,1-3H3,(H,22,29)/t19-/m1/s1