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

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

Isomeric SMILES

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

InChI

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