2-azanyl-3-methyl-3-(phenylmethylsulfanyl)butanoic acid chloride

Systemtic Name: 2-azanyl-3-methyl-3-(phenylmethylsulfanyl)butanoic acid chloride Openeye Name: 2-amino-3-benzylsulfanyl-3-methyl-butanoic acid chloride CAS Name: 2-amino-3-methyl-3-(phenylmethylthio)butanoic acid chloride IUPAC Name: 2-amino-3-benzylsulfanyl-3-methylbutanoic acid chloride Traditional Name: 2-amino-3-(benzylthio)-3-methyl-butyric acid chloride Formula: C12H17ClNO2S- MolecularWeight: 274.78688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)SCC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CC(C)(C(C(=O)O)N)SCC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C12H17NO2S.ClH/c1-12(2,10(13)11(14)15)16-8-9-6-4-3-5-7-9;/h3-7,10H,8,13H2,1-2H3,(H,14,15);1H/p-1