O4-ethyl O2-(2-methoxyethyl) 5-[2-(azepan-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 5-[2-(azepan-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 5-[[2-(azepan-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(azepan-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(azepan-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C20H31N2O6S+ MolecularWeight: 427.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C20H30N2O6S/c1-4-27-19(24)16-14(2)17(20(25)28-12-11-26-3)29-18(16)21-15(23)13-22-9-7-5-6-8-10-22/h4-13H2,1-3H3,(H,21,23)/p+1