[(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxidanylidene-but-3-enyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxidanylidene-but-3-enyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholino-2-oxo-but-3-enyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [(E)-3-cyano-4-(4-fluorophenyl)-4-(4-morpholinyl)-2-oxobut-3-enyl] ester IUPAC Name: [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [(E)-3-cyano-4-(4-fluorophenyl)-2-keto-4-morpholino-but-3-enyl] ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C#N)C(=O)COC(=O)CCC(=O)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1/C(=C(\C#N)/C(=O)COC(=O)CCC(=O)C2=CC=CS2)/C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O5S/c24-17-5-3-16(4-6-17)23(26-9-11-30-12-10-26)18(14-25)20(28)15-31-22(29)8-7-19(27)21-2-1-13-32-21/h1-6,13H,7-12,15H2/b23-18+