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

Systemtic Name: diethyl 5-[4-[3,5-bis(iodanyl)-4-propan-2-yloxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3,5-diiodo-4-isopropoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3,5-diiodo-4-propan-2-yloxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3,5-diiodo-4-propan-2-yloxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(3,5-diiodo-4-isopropoxy-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H25I2NO6S MolecularWeight: 721.34304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25I2NO6S/c1-6-32-24(30)21-14(5)23(25(31)33-7-2)35-20(21)11-19(29)16(12-28)8-15-9-17(26)22(18(27)10-15)34-13(3)4/h8-10,13H,6-7,11H2,1-5H3