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

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-[4-ethoxy-3,5-bis(iodanyl)phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(4-ethoxy-3,5-diiodo-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(4-ethoxy-3,5-diiodophenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(4-ethoxy-3,5-diiodophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-(4-ethoxy-3,5-diiodo-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H18I2N2O4S MolecularWeight: 660.26326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)I

Isomeric SMILES

CCOC1=C(C=C(C=C1I)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)I

InChI

InChI=1S/C22H18I2N2O4S/c1-4-29-20-16(23)7-13(8-17(20)24)6-14(10-25)18(27)9-19-15(11-26)12(3)21(31-19)22(28)30-5-2/h6-8H,4-5,9H2,1-3H3