ethyl 2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H21N2O3S2+ MolecularWeight: 365.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C17H20N2O3S2/c1-2-22-17(21)15-12(13-6-5-9-23-13)11-24-16(15)18-14(20)10-19-7-3-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/p+1