2-[2-(5-ethoxycarbonyl-3-methyl-thiophen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]sulfinylpropanedioic acid

Systemtic Name: 2-[2-(5-ethoxycarbonyl-3-methyl-thiophen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]sulfinylpropanedioic acid Openeye Name: 2-[1-[(tert-butoxycarbonylamino)methyl]-1-(5-ethoxycarbonyl-3-methyl-2-thienyl)propyl]sulfinylpropanedioic acid CAS Name: 2-[2-(5-ethoxycarbonyl-3-methyl-2-thiophenyl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yl]sulfinylpropanedioic acid IUPAC Name: 2-[2-(5-ethoxycarbonyl-3-methylthiophen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]sulfinylpropanedioic acid Traditional Name: 2-[1-[(tert-butoxycarbonylamino)methyl]-1-(5-carbethoxy-3-methyl-2-thienyl)propyl]sulfinylmalonic acid Formula: C20H29NO9S2 MolecularWeight: 491.57556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)OC(C)(C)C)(C1=C(C=C(S1)C(=O)OCC)C)S(=O)C(C(=O)O)C(=O)O

Isomeric SMILES

CCC(CNC(=O)OC(C)(C)C)(C1=C(C=C(S1)C(=O)OCC)C)S(=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H29NO9S2/c1-7-20(10-21-18(27)30-19(4,5)6,32(28)13(15(22)23)16(24)25)14-11(3)9-12(31-14)17(26)29-8-2/h9,13H,7-8,10H2,1-6H3,(H,21,27)(H,22,23)(H,24,25)