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

Systemtic Name: diethyl 5-(3-cyano-2-oxidanylidene-4-phenyl-but-3-enyl)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(3-cyano-2-oxo-4-phenyl-but-3-enyl)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-(3-cyano-2-oxo-4-phenylbut-3-enyl)-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-cyano-2-oxo-4-phenylbut-3-enyl)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3-cyano-2-keto-4-phenyl-but-3-enyl)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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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=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-4-27-21(25)19-14(3)20(22(26)28-5-2)29-18(19)12-17(24)16(13-23)11-15-9-7-6-8-10-15/h6-11H,4-5,12H2,1-3H3