O4-ethyl O2-prop-2-enyl 3-methyl-5-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 3-methyl-5-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 3-methyl-5-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 3-methyl-5-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C18H25N2O6S+ MolecularWeight: 397.4659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-4-8-26-18(23)15-12(3)14(17(22)25-5-2)16(27-15)19-13(21)11-20-6-9-24-10-7-20/h4H,1,5-11H2,2-3H3,(H,19,21)/p+1