(2R)-2-(furan-2-ylmethylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2R)-2-(furan-2-ylmethylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Openeye Name: (2R)-2-(2-furylmethylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: (2R)-2-(2-furanylmethylthio)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2R)-2-(furan-2-ylmethylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: (2R)-2-(2-furfurylthio)-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C15H13F3N2O4S MolecularWeight: 374.33493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SCC2=CC=CO2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SCC2=CC=CO2

InChI

InChI=1S/C15H13F3N2O4S/c1-9(25-8-11-3-2-6-24-11)14(21)19-13-5-4-10(20(22)23)7-12(13)15(16,17)18/h2-7,9H,8H2,1H3,(H,19,21)/t9-/m1/s1