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

Systemtic Name: ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-4-methyl-3-phenyl-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-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-5-27-20(26)18-14(3)25(15-9-7-6-8-10-15)21(28)23-19(18)17-11-16(12-22)24(4)13(17)2/h6-11,19H,5H2,1-4H3,(H,23,28)/t19-/m1/s1