ethyl 2-[2-(2-oxidanyl-2-phenyl-ethanoyl)oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-oxidanyl-2-phenyl-ethanoyl)oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-hydroxy-2-phenyl-acetyl)oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-hydroxy-1-oxo-2-phenylethoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-mandeloyloxyacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C23H21NO6S/c1-2-29-22(27)19-17(15-9-5-3-6-10-15)14-31-21(19)24-18(25)13-30-23(28)20(26)16-11-7-4-8-12-16/h3-12,14,20,26H,2,13H2,1H3,(H,24,25)