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

Systemtic Name: ethyl (6R)-4-methyl-3-(4-methylphenyl)-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-4-methyl-6-phenyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-3-(4-methylphenyl)-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-4-methyl-3-(4-methylphenyl)-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-phenyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C3=CC=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-4-25-20(24)18-15(3)23(17-12-10-14(2)11-13-17)21(26)22-19(18)16-8-6-5-7-9-16/h5-13,19H,4H2,1-3H3,(H,22,26)/t19-/m1/s1