ethyl 4-(2-methylpropyl)-2-[2-(3-phenylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(3-phenylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-(1-oxo-3-phenylpropoxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[(2-hydrocinnamoyloxyacetyl)amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-4-27-22(26)20-17(12-15(2)3)14-29-21(20)23-18(24)13-28-19(25)11-10-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,23,24)