[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2SC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C17H23NO3S/c1-12(16(19)18-13-8-4-3-5-9-13)21-17(20)14-10-6-7-11-15(14)22-2/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,19)/t12-/m1/s1