(E)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-cyano-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide

Systemtic Name: (E)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-cyano-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[(3E)-2-morpholino-3-[(3-nitrophenyl)methylene]cyclopenten-1-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(difluoromethylthio)phenyl]-3-[(3E)-2-(4-morpholinyl)-3-[(3-nitrophenyl)methylidene]-1-cyclopentenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-[4-(difluoromethylthio)phenyl]-3-[(3E)-2-morpholino-3-(3-nitrobenzylidene)cyclopenten-1-yl]acrylamide Formula: C27H24F2N4O4S MolecularWeight: 538.565666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1=CC2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3)C=C(C#N)C(=O)NC4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C\1CC(=C(/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C27H24F2N4O4S/c28-27(29)38-24-8-6-22(7-9-24)31-26(34)21(17-30)16-20-5-4-19(25(20)32-10-12-37-13-11-32)14-18-2-1-3-23(15-18)33(35)36/h1-3,6-9,14-16,27H,4-5,10-13H2,(H,31,34)/b19-14+,21-16+