[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C19H24N2O3S/c1-15(24-17(22)13-25-16-9-5-3-6-10-16)18(23)21(2)19(14-20)11-7-4-8-12-19/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3/t15-/m1/s1