ethyl 5-aminocarbonyl-4-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C15H22N3O4S+ MolecularWeight: 340.41788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-3-22-15(21)11-9(2)12(13(16)20)23-14(11)17-10(19)8-18-6-4-5-7-18/h3-8H2,1-2H3,(H2,16,20)(H,17,19)/p+1