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

Systemtic Name: ethyl 5-[4-[5-(3-bromophenyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[5-(3-bromophenyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[5-(3-bromophenyl)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[5-(3-bromophenyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[5-(3-bromophenyl)-2-furyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H17BrN2O4S MolecularWeight: 509.37178

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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=CC(=CC=C3)Br)C#N)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C24H17BrN2O4S/c1-3-30-24(29)23-14(2)19(13-27)22(32-23)11-20(28)16(12-26)10-18-7-8-21(31-18)15-5-4-6-17(25)9-15/h4-10H,3,11H2,1-2H3