methyl (6R)-3-(4-methoxyphenyl)-4-methyl-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(4-methoxyphenyl)-4-methyl-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(4-methoxyphenyl)-4-methyl-6-(4-methylsulfanylphenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-methoxyphenyl)-4-methyl-6-[4-(methylthio)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(4-methoxyphenyl)-4-methyl-6-(4-methylsulfanylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(4-methoxyphenyl)-4-methyl-6-[4-(methylthio)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-13-18(20(24)26-3)19(14-5-11-17(28-4)12-6-14)22-21(27)23(13)15-7-9-16(25-2)10-8-15/h5-12,19H,1-4H3,(H,22,27)/t19-/m1/s1