ethyl 5-ethyl-2-[2-[(3S)-3-phenylbutanoyl]oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[(3S)-3-phenylbutanoyl]oxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[(3S)-3-phenylbutanoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[(3S)-1-oxo-3-phenylbutoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[(3S)-3-phenylbutanoyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(3S)-3-phenylbutanoyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)CC(C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C[C@H](C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H25NO5S/c1-4-16-12-17(21(25)26-5-2)20(28-16)22-18(23)13-27-19(24)11-14(3)15-9-7-6-8-10-15/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,22,23)/t14-/m0/s1