methyl (6R)-3-(2,5-dimethylphenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(2,5-dimethylphenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(2,5-dimethylphenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(2,5-dimethylphenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(2,5-dimethylphenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(2,5-dimethylphenyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(NC2=S)C3=CC4=C(C(=C3)OC)OCO4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C([C@H](NC2=S)C3=CC4=C(C(=C3)OC)OCO4)C(=O)OC)C

InChI

InChI=1S/C23H24N2O5S/c1-12-6-7-13(2)16(8-12)25-14(3)19(22(26)28-5)20(24-23(25)31)15-9-17(27-4)21-18(10-15)29-11-30-21/h6-10,20H,11H2,1-5H3,(H,24,31)/t20-/m1/s1