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

Systemtic Name: diethyl 5-[4-(5-bromanyl-2-propan-2-yloxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(5-bromo-2-isopropoxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(5-bromo-2-propan-2-yloxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(5-bromo-2-propan-2-yloxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(5-bromo-2-isopropoxy-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H26BrNO6S MolecularWeight: 548.44604

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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)OC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrNO6S/c1-6-31-24(29)22-15(5)23(25(30)32-7-2)34-21(22)12-19(28)17(13-27)10-16-11-18(26)8-9-20(16)33-14(3)4/h8-11,14H,6-7,12H2,1-5H3