dimethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methyl]-2-[1-(p-tolylsulfonyl)imidazol-4-yl]propanedioate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]propanedioate Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methyl]-2-(1-tosylimidazol-4-yl)malonic acid dimethyl ester Formula: C26H30N4O8S MolecularWeight: 558.6034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(CC3=CN=C(C=C3)NC(=O)OC(C)(C)C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(CC3=CN=C(C=C3)NC(=O)OC(C)(C)C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H30N4O8S/c1-17-7-10-19(11-8-17)39(34,35)30-15-20(28-16-30)26(22(31)36-5,23(32)37-6)13-18-9-12-21(27-14-18)29-24(33)38-25(2,3)4/h7-12,14-16H,13H2,1-6H3,(H,27,29,33)