diethyl 5-[4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H26BrNO7S MolecularWeight: 564.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br)OC

InChI

InChI=1S/C25H26BrNO7S/c1-6-32-19-11-15(10-17(26)22(19)31-5)9-16(13-27)18(28)12-20-21(24(29)33-7-2)14(4)23(35-20)25(30)34-8-3/h9-11H,6-8,12H2,1-5H3