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

Systemtic Name: methyl (6S)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-12-5-8-15(9-6-12)23-13(2)18(20(25)27-4)19(22-21(23)28)14-7-10-16(24)17(11-14)26-3/h5-11,19,24H,1-4H3,(H,22,28)/t19-/m0/s1