S-tert-butyl (2R,3S)-3-azanyl-2-bromanyl-3-(4-methylsulfanylphenyl)propanethioate

Systemtic Name: S-tert-butyl (2R,3S)-3-azanyl-2-bromanyl-3-(4-methylsulfanylphenyl)propanethioate Openeye Name: S-tert-butyl (2R,3S)-3-amino-2-bromo-3-(4-methylsulfanylphenyl)propanethioate CAS Name: (2R,3S)-3-amino-2-bromo-3-[4-(methylthio)phenyl]propanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R,3S)-3-amino-2-bromo-3-(4-methylsulfanylphenyl)propanethioate Traditional Name: (2R,3S)-3-amino-2-bromo-3-[4-(methylthio)phenyl]propanethioic acid S-tert-butyl ester Formula: C14H20BrNOS2 MolecularWeight: 362.3487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(C(C1=CC=C(C=C1)SC)N)Br

Isomeric SMILES

CC(C)(C)SC(=O)[C@@H]([C@H](C1=CC=C(C=C1)SC)N)Br

InChI

InChI=1S/C14H20BrNOS2/c1-14(2,3)19-13(17)11(15)12(16)9-5-7-10(18-4)8-6-9/h5-8,11-12H,16H2,1-4H3/t11-,12+/m1/s1