[(2R)-6-oxidanylidenehexan-2-yl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [(2R)-6-oxidanylidenehexan-2-yl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [(1R)-1-methyl-5-oxo-pentyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [(2R)-6-oxohexan-2-yl] ester IUPAC Name: [(2R)-6-oxohexan-2-yl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [(1R)-5-keto-1-methyl-pentyl] ester Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=O)OC(=O)CSC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@H](CCCC=O)OC(=O)CSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H17ClO3S/c1-11(4-2-3-9-16)18-14(17)10-19-13-7-5-12(15)6-8-13/h5-9,11H,2-4,10H2,1H3/t11-/m1/s1