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

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-[2-[(2-fluorophenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-[2-[(2-fluorophenyl)methoxy]phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-[2-[(2-fluorophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-[2-[(2-fluorophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-[2-(2-fluorobenzyl)oxyphenyl]-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H21FN2O4S MolecularWeight: 488.530043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3F)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3F)C#N)C#N)C

InChI

InChI=1S/C27H21FN2O4S/c1-3-33-27(32)26-17(2)21(15-30)25(35-26)13-23(31)20(14-29)12-18-8-5-7-11-24(18)34-16-19-9-4-6-10-22(19)28/h4-12H,3,13,16H2,1-2H3