ethyl 5-[4-(5-bromanyl-2-oxidanyl-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(5-bromanyl-2-oxidanyl-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(5-bromo-2-hydroxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-(5-bromo-2-hydroxyphenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(5-bromo-2-hydroxyphenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(5-bromo-2-hydroxy-phenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N)C#N)C

InChI

InChI=1S/C20H15BrN2O4S/c1-3-27-20(26)19-11(2)15(10-23)18(28-19)8-17(25)13(9-22)6-12-7-14(21)4-5-16(12)24/h4-7,24H,3,8H2,1-2H3