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

Systemtic Name: diethyl 5-[3-cyano-4-[4-[(2-cyanophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxy-phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[4-(2-cyanobenzyl)oxy-3-iodo-5-methoxy-phenyl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H27IN2O7S MolecularWeight: 698.52475

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)OCC3=CC=CC=C3C#N)OC)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=C3C#N)OC)C#N

InChI

InChI=1S/C31H27IN2O7S/c1-5-39-30(36)27-18(3)29(31(37)40-6-2)42-26(27)14-24(35)22(16-34)11-19-12-23(32)28(25(13-19)38-4)41-17-21-10-8-7-9-20(21)15-33/h7-13H,5-6,14,17H2,1-4H3