[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic 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] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)O[C@H](C)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C20H27NO3S/c1-15-8-6-7-11-18(15)25-14-19(22)24-16(2)20(23)21-13-12-17-9-4-3-5-10-17/h6-9,11,16H,3-5,10,12-14H2,1-2H3,(H,21,23)/t16-/m1/s1