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

Systemtic Name: diethyl 5-[3-cyano-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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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)OCC#N)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O7S/c1-5-32-24(29)22-15(3)23(25(30)33-6-2)35-21(22)13-18(28)17(14-27)11-16-7-8-19(34-10-9-26)20(12-16)31-4/h7-8,11-12H,5-6,10,13H2,1-4H3