ethyl 2-chloranyl-2-phenethylsulfanyl-ethanoate

Systemtic Name: ethyl 2-chloranyl-2-phenethylsulfanyl-ethanoate Openeye Name: ethyl 2-chloro-2-phenethylsulfanyl-acetate CAS Name: 2-chloro-2-(phenethylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-chloro-2-phenethylsulfanylacetate Traditional Name: 2-chloro-2-(phenethylthio)acetic acid ethyl ester Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(SCCC1=CC=CC=C1)Cl

Isomeric SMILES

CCOC(=O)C(SCCC1=CC=CC=C1)Cl

InChI

InChI=1S/C12H15ClO2S/c1-2-15-12(14)11(13)16-9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3