diethyl 5-[3-cyano-4-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H22INO7S MolecularWeight: 583.39275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C(=C2)I)O)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C(=C2)I)O)OC)C#N

InChI

InChI=1S/C23H22INO7S/c1-5-31-22(28)19-12(3)21(23(29)32-6-2)33-18(19)10-16(26)14(11-25)7-13-8-15(24)20(27)17(9-13)30-4/h7-9,27H,5-6,10H2,1-4H3