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

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H19IN2O5S MolecularWeight: 550.36613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)I)O

InChI

InChI=1S/C22H19IN2O5S/c1-4-29-18-8-13(7-16(23)20(18)27)6-14(10-24)17(26)9-19-15(11-25)12(3)21(31-19)22(28)30-5-2/h6-8,27H,4-5,9H2,1-3H3