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

Systemtic Name: diethyl 5-[4-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[5-(2-bromo-4-methylphenyl)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[5-(2-bromo-4-methylphenyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H24BrNO6S MolecularWeight: 570.45156

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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(O2)C3=C(C=C(C=C3)C)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C)Br)C#N

InChI

InChI=1S/C27H24BrNO6S/c1-5-33-26(31)24-16(4)25(27(32)34-6-2)36-23(24)13-21(30)17(14-29)12-18-8-10-22(35-18)19-9-7-15(3)11-20(19)28/h7-12H,5-6,13H2,1-4H3