S-(4-methylphenyl) (2S,3S)-2-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioate

Systemtic Name: S-(4-methylphenyl) (2S,3S)-2-bromanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioate Openeye Name: S-(p-tolyl) (2S,3S)-2-bromo-3-(tert-butoxycarbonylamino)butanethioate CAS Name: (2S,3S)-2-bromo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) (2S,3S)-2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioate Traditional Name: (2S,3S)-2-bromo-3-(tert-butoxycarbonylamino)butanethioic acid S-(p-tolyl) ester Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C(C)NC(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)[C@H]([C@H](C)NC(=O)OC(C)(C)C)Br

InChI

InChI=1S/C16H22BrNO3S/c1-10-6-8-12(9-7-10)22-14(19)13(17)11(2)18-15(20)21-16(3,4)5/h6-9,11,13H,1-5H3,(H,18,20)/t11-,13-/m0/s1