methyl (3R)-4-chloranyl-3-(phenylmethylsulfanyl)butanoate

Systemtic Name: methyl (3R)-4-chloranyl-3-(phenylmethylsulfanyl)butanoate Openeye Name: methyl (3R)-3-benzylsulfanyl-4-chloro-butanoate CAS Name: (3R)-4-chloro-3-(phenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl (3R)-3-benzylsulfanyl-4-chlorobutanoate Traditional Name: (3R)-3-(benzylthio)-4-chloro-butyric acid methyl ester Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCl)SCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C[C@H](CCl)SCC1=CC=CC=C1

InChI

InChI=1S/C12H15ClO2S/c1-15-12(14)7-11(8-13)16-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m1/s1