dimethyl 5-[2-(4-thiophen-2-ylbutanoyloxy)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-thiophen-2-ylbutanoyloxy)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(2-thienyl)butanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(1-oxo-4-thiophen-2-ylbutoxy)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-thiophen-2-ylbutanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-thienyl)butanoyloxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCCC2=CC=CS2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCCC2=CC=CS2)C(=O)OC

InChI

InChI=1S/C20H21NO7S/c1-26-19(24)13-9-14(20(25)27-2)11-15(10-13)21-17(22)12-28-18(23)7-3-5-16-6-4-8-29-16/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,21,22)