(1-methoxy-2-methyl-propan-2-yl) 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (1-methoxy-2-methyl-propan-2-yl) 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (2-methoxy-1,1-dimethyl-ethyl) 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (1-methoxy-2-methylpropan-2-yl) ester IUPAC Name: (1-methoxy-2-methylpropan-2-yl) 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (2-methoxy-1,1-dimethyl-ethyl) ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(COC)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H27N3O6S/c1-25(2,15-31-3)34-23(30)20-21(27-24(35-4)28(20)16-10-6-5-7-11-16)26-22(29)19-14-32-17-12-8-9-13-18(17)33-19/h5-13,19H,14-15H2,1-4H3,(H,26,29)