ethyl 5-[4-[5-(2-bromanyl-4-nitro-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-nitro-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-nitro-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-nitrophenyl)-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-nitrophenyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H16BrN3O6S MolecularWeight: 554.36934

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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)[N+](=O)[O-])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)[N+](=O)[O-])Br)C#N)C#N)C

InChI

InChI=1S/C24H16BrN3O6S/c1-3-33-24(30)23-13(2)18(12-27)22(35-23)10-20(29)14(11-26)8-16-5-7-21(34-16)17-6-4-15(28(31)32)9-19(17)25/h4-9H,3,10H2,1-2H3