ethyl 5-[4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(2-hydroxy-3,5-diiodo-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(2-hydroxy-3,5-diiodophenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(2-hydroxy-3,5-diiodophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-(2-hydroxy-3,5-diiodo-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H14I2N2O4S MolecularWeight: 632.2101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2O)I)I)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2O)I)I)C#N)C#N)C

InChI

InChI=1S/C20H14I2N2O4S/c1-3-28-20(27)19-10(2)14(9-24)17(29-19)7-16(25)12(8-23)4-11-5-13(21)6-15(22)18(11)26/h4-6,26H,3,7H2,1-2H3