diethyl 2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C19H27N3O5S/c1-3-26-18(24)16-13-7-10-22(19(25)27-4-2)11-14(13)28-17(16)20-15(23)12-21-8-5-6-9-21/h3-12H2,1-2H3,(H,20,23)/p+1