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

Systemtic Name: methyl (6R)-6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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)Cl)O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-11-16(19(25)27-3)17(12-9-14(21)18(24)15(10-12)26-2)22-20(28)23(11)13-7-5-4-6-8-13/h4-10,17,24H,1-3H3,(H,22,28)/t17-/m1/s1