ethyl 4-ethyl-5-methyl-2-[2-(3-phenylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(3-phenylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-(1-oxo-3-phenylpropoxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(2-hydrocinnamoyloxyacetyl)amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO5S/c1-4-16-14(3)28-20(19(16)21(25)26-5-2)22-17(23)13-27-18(24)12-11-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3,(H,22,23)