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

Systemtic Name: ethyl 5-[4-[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[3-bromo-4-(2-chlorobenzyl)oxy-5-methoxy-phenyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H22BrClN2O5S MolecularWeight: 613.90668

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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)OCC3=CC=CC=C3Cl)OC)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3Cl)OC)C#N)C#N)C

InChI

InChI=1S/C28H22BrClN2O5S/c1-4-36-28(34)27-16(2)20(14-32)25(38-27)12-23(33)19(13-31)9-17-10-21(29)26(24(11-17)35-3)37-15-18-7-5-6-8-22(18)30/h5-11H,4,12,15H2,1-3H3