[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H23ClN2O3S/c1-14(18(24)22-19(13-21)10-3-2-4-11-19)25-17(23)9-12-26-16-7-5-15(20)6-8-16/h5-8,14H,2-4,9-12H2,1H3,(H,22,24)/t14-/m1/s1