methyl (6S)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=C(C=C2)C)C3=CC=C(C=C3)OCC#N)C(=O)OC

Isomeric SMILES

CCC1=C([C@@H](NC(=S)N1C2=CC=C(C=C2)C)C3=CC=C(C=C3)OCC#N)C(=O)OC

InChI

InChI=1S/C23H23N3O3S/c1-4-19-20(22(27)28-3)21(16-7-11-18(12-8-16)29-14-13-24)25-23(30)26(19)17-9-5-15(2)6-10-17/h5-12,21H,4,14H2,1-3H3,(H,25,30)/t21-/m0/s1