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

Systemtic Name: diethyl 5-[3-cyano-4-[2-[(4-cyanophenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[2-[(4-cyanophenyl)methoxy]phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[2-[(4-cyanophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[2-[(4-cyanophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[2-(4-cyanobenzyl)oxyphenyl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H26N2O6S MolecularWeight: 542.60224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C30H26N2O6S/c1-4-36-29(34)27-19(3)28(30(35)37-5-2)39-26(27)15-24(33)23(17-32)14-22-8-6-7-9-25(22)38-18-21-12-10-20(16-31)11-13-21/h6-14H,4-5,15,18H2,1-3H3