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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(3-phenylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-2-(1-oxo-3-phenylpropoxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(2-hydrocinnamoyloxyacetyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO6S/c1-4-27-21(26)18-13(2)19(14(3)23)29-20(18)22-16(24)12-28-17(25)11-10-15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3,(H,22,24)