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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

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