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

Systemtic Name: diethyl 5-[4-(4-bromophenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(4-bromophenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(4-bromophenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(4-bromophenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(4-bromophenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H20BrNO5S MolecularWeight: 490.3669

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5S/c1-4-28-21(26)19-13(3)20(22(27)29-5-2)30-18(19)11-17(25)15(12-24)10-14-6-8-16(23)9-7-14/h6-10H,4-5,11H2,1-3H3