dimethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-(2-methoxy-2-oxo-ethyl)-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-5-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H23N2O7S+ MolecularWeight: 399.43872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCC2)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCC2)C(=O)OC

InChI

InChI=1S/C17H22N2O7S/c1-24-12(21)8-10-13(16(22)25-2)15(27-14(10)17(23)26-3)18-11(20)9-19-6-4-5-7-19/h4-9H2,1-3H3,(H,18,20)/p+1