ethyl 4-[[2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoic acid ethyl ester Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O4S/c1-2-30-23(29)15-8-10-16(11-9-15)24-21(28)20-17-6-5-7-18(17)31-22(20)25-19(27)14-26-12-3-4-13-26/h8-11H,2-7,12-14H2,1H3,(H,24,28)(H,25,27)/p+1