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

Systemtic Name: methyl (6S)-6-(2,3-dimethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2,3-dimethoxyphenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,3-dimethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2,3-dimethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,3-dimethoxyphenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-13-17(20(24)27-4)18(15-11-8-12-16(25-2)19(15)26-3)22-21(28)23(13)14-9-6-5-7-10-14/h5-12,18H,1-4H3,(H,22,28)/t18-/m0/s1