ethyl 5-[4-[3,5-bis(iodanyl)-2-phenylmethoxy-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-phenylmethoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(2-benzyloxy-3,5-diiodo-phenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(3,5-diiodo-2-phenylmethoxyphenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(3,5-diiodo-2-phenylmethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(2-benzoxy-3,5-diiodo-phenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H20I2N2O4S MolecularWeight: 722.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2OCC3=CC=CC=C3)I)I)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2OCC3=CC=CC=C3)I)I)C#N)C#N)C

InChI

InChI=1S/C27H20I2N2O4S/c1-3-34-27(33)26-16(2)21(14-31)24(36-26)12-23(32)19(13-30)9-18-10-20(28)11-22(29)25(18)35-15-17-7-5-4-6-8-17/h4-11H,3,12,15H2,1-2H3