diethyl 2-acetamido-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]malonic acid diethyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCCC1C2=CC=CS2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+]1CCC[C@@H]1C2=CC=CS2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-4-24-16(22)18(19-13(3)21,17(23)25-5-2)12-20-10-6-8-14(20)15-9-7-11-26-15/h7,9,11,14H,4-6,8,10,12H2,1-3H3,(H,19,21)/p+1/t14-/m1/s1