diethyl 3-methyl-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCCC2

InChI

InChI=1S/C17H24N2O5S/c1-4-23-16(21)13-11(3)14(17(22)24-5-2)25-15(13)18-12(20)10-19-8-6-7-9-19/h4-10H2,1-3H3,(H,18,20)/p+1