ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=C(N(C(=C2)C#N)C)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=C(N(C(=C2)C#N)C)C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H24N4O2S/c1-6-28-21(27)19-15(4)26(16-9-7-13(2)8-10-16)22(29)24-20(19)18-11-17(12-23)25(5)14(18)3/h7-11,20H,6H2,1-5H3,(H,24,29)/t20-/m1/s1