[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CSC1=CC=CC=C1F)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CSC1=CC=CC=C1F)C2(CCCCC2)C#N

InChI

InChI=1S/C18H21FN2O3S/c1-21(18(13-20)9-5-2-6-10-18)16(22)11-24-17(23)12-25-15-8-4-3-7-14(15)19/h3-4,7-8H,2,5-6,9-12H2,1H3