tert-butyl 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]propanoate

Systemtic Name: tert-butyl 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]propanoate Openeye Name: tert-butyl 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]propanoate CAS Name: 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propanoate Traditional Name: 3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]propionic acid tert-butyl ester Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCC(=O)OC(C)(C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCC(=O)OC(C)(C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C20H22F3N3O3S/c1-18(2,3)29-15(27)8-9-25-17(30)26(16(28)19(25,4)5)13-7-6-12(11-24)14(10-13)20(21,22)23/h6-7,10H,8-9H2,1-5H3