diethyl 5-[4-[3,5-bis(bromanyl)-2-ethoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-[3,5-bis(bromanyl)-2-ethoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3,5-dibromo-2-ethoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3,5-dibromo-2-ethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3,5-dibromo-2-ethoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(3,5-dibromo-2-ethoxy-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H23Br2NO6S MolecularWeight: 613.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br)Br

InChI

InChI=1S/C24H23Br2NO6S/c1-5-31-21-14(9-16(25)10-17(21)26)8-15(12-27)18(28)11-19-20(23(29)32-6-2)13(4)22(34-19)24(30)33-7-3/h8-10H,5-7,11H2,1-4H3