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

Systemtic Name: diethyl 5-[4-(5-bromanyl-2-phenylmethoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2-benzyloxy-5-bromo-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(5-bromo-2-phenylmethoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(5-bromo-2-phenylmethoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-benzoxy-5-bromo-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H26BrNO6S MolecularWeight: 596.48884

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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)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C29H26BrNO6S/c1-4-35-28(33)26-18(3)27(29(34)36-5-2)38-25(26)15-23(32)21(16-31)13-20-14-22(30)11-12-24(20)37-17-19-9-7-6-8-10-19/h6-14H,4-5,15,17H2,1-3H3