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

Systemtic Name: ethyl 5-[4-[3-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[3-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[3-[(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-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[3-(4-chlorobenzyl)oxyphenyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H21ClN2O4S MolecularWeight: 504.98464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN2O4S/c1-3-33-27(32)26-17(2)23(15-30)25(35-26)13-24(31)20(14-29)11-19-5-4-6-22(12-19)34-16-18-7-9-21(28)10-8-18/h4-12H,3,13,16H2,1-2H3