diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H27N2O6S+ MolecularWeight: 399.48178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC[NH+]2CCOCC2

InChI

InChI=1S/C18H26N2O6S/c1-4-25-17(22)14-12(3)15(18(23)26-5-2)27-16(14)19-13(21)6-7-20-8-10-24-11-9-20/h4-11H2,1-3H3,(H,19,21)/p+1