ethyl 2-[[(4R)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[[(4R)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[[(4R)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(4R)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4R)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(4R)-5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl]methylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=C(C(NC(=O)N3)C)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=C([C@H](NC(=O)N3)C)C(=O)OCC

InChI

InChI=1S/C21H26N4O5S/c1-5-25-16-9-8-13(18(26)29-6-2)10-14(16)24-21(25)31-11-15-17(19(27)30-7-3)12(4)22-20(28)23-15/h8-10,12H,5-7,11H2,1-4H3,(H2,22,23,28)/t12-/m1/s1