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

Systemtic Name: diethyl 5-[3-cyano-4-(3-iodanyl-5-nitro-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-nitro-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(4-hydroxy-3-iodo-5-nitrophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(4-hydroxy-3-iodo-5-nitrophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(4-hydroxy-3-iodo-5-nitro-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H19IN2O8S MolecularWeight: 598.36433

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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)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C(=C2)I)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H19IN2O8S/c1-4-32-21(28)18-11(3)20(22(29)33-5-2)34-17(18)9-16(26)13(10-24)6-12-7-14(23)19(27)15(8-12)25(30)31/h6-8,27H,4-5,9H2,1-3H3