ethyl 5-[4-[3,5-bis(bromanyl)-4-prop-2-enoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[3,5-bis(bromanyl)-4-prop-2-enoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-allyloxy-3,5-dibromo-phenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(3,5-dibromo-4-prop-2-enoxyphenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(3,5-dibromo-4-prop-2-enoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(4-allyloxy-3,5-dibromo-phenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H18Br2N2O4S MolecularWeight: 578.27302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18Br2N2O4S/c1-4-6-31-21-17(24)8-14(9-18(21)25)7-15(11-26)19(28)10-20-16(12-27)13(3)22(32-20)23(29)30-5-2/h4,7-9H,1,5-6,10H2,2-3H3