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

Systemtic Name: methyl (6R)-3-(3,5-dimethylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3,5-dimethylphenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3,5-dimethylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3,5-dimethylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3,5-dimethylphenyl)-4-methyl-6-(2-nitrophenyl)-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:

CC1=CC(=CC(=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C([C@H](NC2=S)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C)C

InChI

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