methyl 4-chloranyl-3-methylsulfanyl-4-phenyl-butanoate

Systemtic Name: methyl 4-chloranyl-3-methylsulfanyl-4-phenyl-butanoate Openeye Name: methyl 4-chloro-3-methylsulfanyl-4-phenyl-butanoate CAS Name: 4-chloro-3-(methylthio)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-chloro-3-methylsulfanyl-4-phenylbutanoate Traditional Name: 4-chloro-3-(methylthio)-4-phenyl-butyric acid methyl ester Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(C1=CC=CC=C1)Cl)SC

Isomeric SMILES

COC(=O)CC(C(C1=CC=CC=C1)Cl)SC

InChI

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