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

Systemtic Name: ethyl (6R)-4-methyl-3-(3-methylphenyl)-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-4-methyl-3-(m-tolyl)-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-3-(3-methylphenyl)-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-4-methyl-3-(3-methylphenyl)-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-3-(m-tolyl)-6-(4-nitrophenyl)-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=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C)C

Isomeric SMILES

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

InChI

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