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

Systemtic Name: methyl (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(4-methoxycarbonylphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-carbomethoxyphenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-17(20(25)27-3)18(14-9-11-15(12-10-14)19(24)26-2)22-21(28)23(13)16-7-5-4-6-8-16/h4-12,18H,1-3H3,(H,22,28)/t18-/m1/s1