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

Systemtic Name: diethyl 5-[4-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(3-bromo-5-chloro-2-hydroxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(3-bromo-5-chloro-2-hydroxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(3-bromo-5-chloro-2-hydroxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3-bromo-5-chloro-2-hydroxy-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H19BrClNO6S MolecularWeight: 540.81136

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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(=C2O)Br)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=CC(=C2O)Br)Cl)C#N

InChI

InChI=1S/C22H19BrClNO6S/c1-4-30-21(28)18-11(3)20(22(29)31-5-2)32-17(18)9-16(26)13(10-25)6-12-7-14(24)8-15(23)19(12)27/h6-8,27H,4-5,9H2,1-3H3