S-methyl 2-cyano-3-cyclopropyl-3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]propanethioate

Systemtic Name: S-methyl 2-cyano-3-cyclopropyl-3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]propanethioate Openeye Name: S-methyl 2-cyano-3-cyclopropyl-3-oxo-2-[4-(trifluoromethyl)phenyl]propanethioate CAS Name: 2-cyano-3-cyclopropyl-3-oxo-2-[4-(trifluoromethyl)phenyl]propanethioic acid S-methyl ester IUPAC Name: S-methyl 2-cyano-3-cyclopropyl-3-oxo-2-[4-(trifluoromethyl)phenyl]propanethioate Traditional Name: 2-cyano-3-cyclopropyl-3-keto-2-[4-(trifluoromethyl)phenyl]propanethioic acid S-methyl ester Formula: C15H12F3NO2S MolecularWeight: 327.32149

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C(C#N)(C1=CC=C(C=C1)C(F)(F)F)C(=O)C2CC2

Isomeric SMILES

CSC(=O)C(C#N)(C1=CC=C(C=C1)C(F)(F)F)C(=O)C2CC2

InChI

InChI=1S/C15H12F3NO2S/c1-22-13(21)14(8-19,12(20)9-2-3-9)10-4-6-11(7-5-10)15(16,17)18/h4-7,9H,2-3H2,1H3