S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-3-(dimethylcarbamoyl)-2-methylidene-piperidin-4-yl] ethanethioate

Systemtic Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-3-(dimethylcarbamoyl)-2-methylidene-piperidin-4-yl] ethanethioate Openeye Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-(dimethylcarbamoyl)-2-methylene-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-[dimethylamino(oxo)methyl]-2-methylene-4-piperidinyl] ester IUPAC Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(dimethylcarbamoyl)-2-methylidenepiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-(dimethylcarbamoyl)-2-methylene-4-piperidyl] ester Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(C(=C)C1C(=O)N(C)C)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

CC(=O)SC1CCN(C(=C)C1C(=O)N(C)C)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C22H27FN2O3S/c1-13-19(22(28)24(3)4)18(29-14(2)26)11-12-25(13)20(21(27)15-9-10-15)16-7-5-6-8-17(16)23/h5-8,15,18-20H,1,9-12H2,2-4H3