diethyl 5-[2-(azepan-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(azepan-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C19H29N2O5S+ MolecularWeight: 397.50896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-25-18(23)15-13(3)16(19(24)26-5-2)27-17(15)20-14(22)12-21-10-8-6-7-9-11-21/h4-12H2,1-3H3,(H,20,22)/p+1