ethyl 5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C19H22N2O3S/c1-2-24-19(23)15-12-16(14-8-4-3-5-9-14)25-18(15)20-17(22)13-21-10-6-7-11-21/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H,20,22)/p+1