diethyl 2-[[cyclopropyl-[6-phenylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[cyclopropyl-[6-phenylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[cyclopropyl-[6-phenylsulfanyl-5-(trifluoromethyl)-2-pyridyl]amino]methylene]propanedioate CAS Name: 2-[[cyclopropyl-[6-(phenylthio)-5-(trifluoromethyl)-2-pyridinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[cyclopropyl-[6-phenylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]amino]methylidene]propanedioate Traditional Name: 2-[[cyclopropyl-[6-(phenylthio)-5-(trifluoromethyl)-2-pyridyl]amino]methylene]malonic acid diethyl ester Formula: C23H23F3N2O4S MolecularWeight: 480.49993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C1CC1)C2=NC(=C(C=C2)C(F)(F)F)SC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(C1CC1)C2=NC(=C(C=C2)C(F)(F)F)SC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H23F3N2O4S/c1-3-31-21(29)17(22(30)32-4-2)14-28(15-10-11-15)19-13-12-18(23(24,25)26)20(27-19)33-16-8-6-5-7-9-16/h5-9,12-15H,3-4,10-11H2,1-2H3