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

Systemtic Name: diethyl 5-[4-(5-bromanyl-2-prop-2-enoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2-allyloxy-5-bromo-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(5-bromo-2-prop-2-enoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(5-bromo-2-prop-2-enoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-allyloxy-5-bromo-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H24BrNO6S MolecularWeight: 546.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO6S/c1-5-10-33-20-9-8-18(26)12-16(20)11-17(14-27)19(28)13-21-22(24(29)31-6-2)15(4)23(34-21)25(30)32-7-3/h5,8-9,11-12H,1,6-7,10,13H2,2-4H3