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

Systemtic Name: ethyl (4R)-4-(furan-2-yl)-2-oxidanylidene-6-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(2-furyl)-2-oxo-6-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-furanyl)-2-oxo-6-[[(1-phenethyl-2-benzimidazolyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(furan-2-yl)-2-oxo-6-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2-furyl)-2-keto-6-[[(1-phenethylbenzimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H26N4O4S MolecularWeight: 502.58474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4S/c1-2-34-25(32)23-20(28-26(33)30-24(23)22-13-8-16-35-22)17-36-27-29-19-11-6-7-12-21(19)31(27)15-14-18-9-4-3-5-10-18/h3-13,16,24H,2,14-15,17H2,1H3,(H2,28,30,33)/t24-/m0/s1