methyl (6S)-3-(3,4-dimethylphenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-(3,4-dimethylphenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3,4-dimethylphenyl)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3,4-dimethylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3,4-dimethylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3,4-dimethylphenyl)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)O)OC)C(=O)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-12-6-8-16(10-13(12)2)24-14(3)19(21(26)28-5)20(23-22(24)29)15-7-9-17(25)18(11-15)27-4/h6-11,20,25H,1-5H3,(H,23,29)/t20-/m0/s1