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

Systemtic Name: diethyl 5-[3-cyano-4-(3-iodanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3-iodo-4,5-dimethoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3-iodo-4,5-dimethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3-iodo-4,5-dimethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(3-iodo-4,5-dimethoxy-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H24INO7S MolecularWeight: 597.41933

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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)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H24INO7S/c1-6-32-23(28)20-13(3)22(24(29)33-7-2)34-19(20)11-17(27)15(12-26)8-14-9-16(25)21(31-5)18(10-14)30-4/h8-10H,6-7,11H2,1-5H3