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

Systemtic Name: ethyl 5-[4-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[4-(4-chlorobenzyl)oxy-3-ethoxy-phenyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C29H25ClN2O5S MolecularWeight: 549.0372

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C29H25ClN2O5S/c1-4-35-26-13-20(8-11-25(26)37-17-19-6-9-22(30)10-7-19)12-21(15-31)24(33)14-27-23(16-32)18(3)28(38-27)29(34)36-5-2/h6-13H,4-5,14,17H2,1-3H3