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

Systemtic Name: ethyl 5-[4-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[5-(2-bromo-4-methylphenyl)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[5-(2-bromo-4-methylphenyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H19BrN2O4S MolecularWeight: 523.39836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C)Br)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C)Br)C#N)C#N)C

InChI

InChI=1S/C25H19BrN2O4S/c1-4-31-25(30)24-15(3)19(13-28)23(33-24)11-21(29)16(12-27)10-17-6-8-22(32-17)18-7-5-14(2)9-20(18)26/h5-10H,4,11H2,1-3H3