[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)sulfanylethanoate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-fluorophenyl)sulfanylacetate CAS Name: 2-[(4-fluorophenyl)thio]acetic acid [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)sulfanylacetate Traditional Name: 2-[(4-fluorophenyl)thio]acetic acid [(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CSC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)OC(=O)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O3S/c1-13(17(23)21-18(12-20)9-3-2-4-10-18)24-16(22)11-25-15-7-5-14(19)6-8-15/h5-8,13H,2-4,9-11H2,1H3,(H,21,23)/t13-/m0/s1