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

Systemtic Name: ethyl 5-[4-(3-bromanyl-4-phenylmethoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-benzyloxy-3-bromo-phenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-(3-bromo-4-phenylmethoxyphenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-bromo-4-phenylmethoxyphenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(4-benzoxy-3-bromo-phenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H21BrN2O4S MolecularWeight: 549.43564

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

InChI

InChI=1S/C27H21BrN2O4S/c1-3-33-27(32)26-17(2)21(15-30)25(35-26)13-23(31)20(14-29)11-19-9-10-24(22(28)12-19)34-16-18-7-5-4-6-8-18/h4-12H,3,13,16H2,1-2H3