diethyl 5-[4-[3,5-bis(iodanyl)-4-phenylmethoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-[3,5-bis(iodanyl)-4-phenylmethoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(4-benzyloxy-3,5-diiodo-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3,5-diiodo-4-phenylmethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3,5-diiodo-4-phenylmethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(4-benzoxy-3,5-diiodo-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H25I2NO6S MolecularWeight: 769.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)I)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)I)C#N

InChI

InChI=1S/C29H25I2NO6S/c1-4-36-28(34)25-17(3)27(29(35)37-5-2)39-24(25)14-23(33)20(15-32)11-19-12-21(30)26(22(31)13-19)38-16-18-9-7-6-8-10-18/h6-13H,4-5,14,16H2,1-3H3