[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H26ClNO3S MolecularWeight: 395.94334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H26ClNO3S/c1-15(20(24)22-13-11-16-5-3-2-4-6-16)25-19(23)12-14-26-18-9-7-17(21)8-10-18/h5,7-10,15H,2-4,6,11-14H2,1H3,(H,22,24)/t15-/m1/s1