ethyl (4R)-6-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C22H21N5O3S2/c1-2-30-20(28)18-15(24-21(29)26-19(18)17-9-5-12-31-17)13-32-22-25-14-7-3-4-8-16(14)27(22)11-6-10-23/h3-5,7-9,12,19H,2,6,11,13H2,1H3,(H2,24,26,29)/t19-/m0/s1