ethyl 5-ethanoyl-2-[[5-[(4-iodanylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[[5-[(4-iodanylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[5-[(4-iodophenoxy)methyl]furan-2-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[5-[(4-iodophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[5-[(4-iodophenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[5-[(4-iodophenoxy)methyl]-2-furoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20INO6S MolecularWeight: 553.36677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)I

InChI

InChI=1S/C22H20INO6S/c1-4-28-22(27)18-12(2)19(13(3)25)31-21(18)24-20(26)17-10-9-16(30-17)11-29-15-7-5-14(23)6-8-15/h5-10H,4,11H2,1-3H3,(H,24,26)