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

Systemtic Name: diethyl 5-[3-cyano-4-[5-(2-cyanophenyl)furan-2-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[5-(2-cyanophenyl)-2-furyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[5-(2-cyanophenyl)-2-furanyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[5-(2-cyanophenyl)furan-2-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[5-(2-cyanophenyl)-2-furyl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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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(O2)C3=CC=CC=C3C#N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C27H22N2O6S/c1-4-33-26(31)24-16(3)25(27(32)34-5-2)36-23(24)13-21(30)18(15-29)12-19-10-11-22(35-19)20-9-7-6-8-17(20)14-28/h6-12H,4-5,13H2,1-3H3