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

Systemtic Name: ethyl 5-[4-[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[3-bromo-4-(4-chlorobenzyl)oxy-phenyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H20BrClN2O4S MolecularWeight: 583.8807

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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)OCC3=CC=C(C=C3)Cl)Br)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)Br)C#N)C#N)C

InChI

InChI=1S/C27H20BrClN2O4S/c1-3-34-27(33)26-16(2)21(14-31)25(36-26)12-23(32)19(13-30)10-18-6-9-24(22(28)11-18)35-15-17-4-7-20(29)8-5-17/h4-11H,3,12,15H2,1-2H3