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

Systemtic Name: ethyl (4R)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(C(NC(=O)N3)C4=CC=CO4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C([C@@H](NC(=O)N3)C4=CC=CO4)C(=O)OCC

InChI

InChI=1S/C21H22N4O5S/c1-3-28-12-7-8-13-14(10-12)24-21(23-13)31-11-15-17(19(26)29-4-2)18(25-20(27)22-15)16-6-5-9-30-16/h5-10,18H,3-4,11H2,1-2H3,(H,23,24)(H2,22,25,27)/t18-/m0/s1