ethyl 4-phenyl-2-[2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-(3,4,5-trihydroxybenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-(3,4,5-trihydroxybenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[(2-galloyloxyacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H19NO8S MolecularWeight: 457.45316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO8S/c1-2-30-22(29)18-14(12-6-4-3-5-7-12)11-32-20(18)23-17(26)10-31-21(28)13-8-15(24)19(27)16(25)9-13/h3-9,11,24-25,27H,2,10H2,1H3,(H,23,26)