phenacyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: phenacyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: phenacyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid phenacyl ester IUPAC Name: phenacyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid phenacyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-12(24-15-9-7-14(8-10-15)18(21)22)17(20)23-11-16(19)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m1/s1