S-(4-nitrophenyl) (2S,3S)-2-methyl-3-oxidanyl-3-phenyl-propanethioate

Systemtic Name: S-(4-nitrophenyl) (2S,3S)-2-methyl-3-oxidanyl-3-phenyl-propanethioate Openeye Name: S-(4-nitrophenyl) (2S,3S)-3-hydroxy-2-methyl-3-phenyl-propanethioate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanethioate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-3-phenyl-propanethioic acid S-(4-nitrophenyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c1-11(15(18)12-5-3-2-4-6-12)16(19)22-14-9-7-13(8-10-14)17(20)21/h2-11,15,18H,1H3/t11-,15-/m0/s1