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

Systemtic Name: diethyl 5-[4-(3-bromanyl-5-iodanyl-4-oxidanyl-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(3-bromo-4-hydroxy-5-iodo-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(3-bromo-4-hydroxy-5-iodophenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(3-bromo-4-hydroxy-5-iodophenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3-bromo-4-hydroxy-5-iodo-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H19BrINO6S MolecularWeight: 632.26283

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrINO6S/c1-4-30-21(28)18-11(3)20(22(29)31-5-2)32-17(18)9-16(26)13(10-25)6-12-7-14(23)19(27)15(24)8-12/h6-8,27H,4-5,9H2,1-3H3