[(2S)-1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] ethanoate Openeye Name: [(1S)-1-(butylsulfanylmethyl)-2-(4-chlorophenoxy)ethyl] acetate CAS Name: acetic acid [(2S)-1-(butylthio)-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-butylsulfanyl-3-(4-chlorophenoxy)propan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(butylthio)methyl]-2-(4-chlorophenoxy)ethyl] ester Formula: C15H21ClO3S MolecularWeight: 316.84344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=C(C=C1)Cl)OC(=O)C

Isomeric SMILES

CCCCSC[C@H](COC1=CC=C(C=C1)Cl)OC(=O)C

InChI

InChI=1S/C15H21ClO3S/c1-3-4-9-20-11-15(19-12(2)17)10-18-14-7-5-13(16)6-8-14/h5-8,15H,3-4,9-11H2,1-2H3/t15-/m0/s1