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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=C(C(=C2)I)O)I)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=C(C(=C2)I)O)I)C#N)C#N)C

InChI

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