O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 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 O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 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 O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C18H27N2O6S+ MolecularWeight: 399.48178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-4-25-17(22)14-12(2)15(18(23)26-10-9-24-3)27-16(14)19-13(21)11-20-7-5-6-8-20/h4-11H2,1-3H3,(H,19,21)/p+1