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

Systemtic Name: diethyl 5-[4-[3,5-bis(bromanyl)-2-methoxy-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-methoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3,5-dibromo-2-methoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3,5-dibromo-2-methoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(3,5-dibromo-2-methoxy-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H21Br2NO6S MolecularWeight: 599.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=CC(=C2OC)Br)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=CC(=C2OC)Br)Br)C#N

InChI

InChI=1S/C23H21Br2NO6S/c1-5-31-22(28)19-12(3)21(23(29)32-6-2)33-18(19)10-17(27)14(11-26)7-13-8-15(24)9-16(25)20(13)30-4/h7-9H,5-6,10H2,1-4H3