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

Systemtic Name: S-(4-nitrophenyl) (2S,3S)-2-methyl-3-oxidanyl-3-phenyl-pentanethioate Openeye Name: S-(4-nitrophenyl) (2S,3S)-3-hydroxy-2-methyl-3-phenyl-pentanethioate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3-phenylpentanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) (2S,3S)-3-hydroxy-2-methyl-3-phenylpentanethioate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-3-phenyl-pentanethioic acid S-(4-nitrophenyl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-3-18(21,14-7-5-4-6-8-14)13(2)17(20)24-16-11-9-15(10-12-16)19(22)23/h4-13,21H,3H2,1-2H3/t13-,18+/m1/s1