(4-cyanophenyl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-cyanophenyl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid (4-cyanobenzyl) ester Formula: C17H14N2O4S MolecularWeight: 342.36906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=C(C=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-12(24-16-8-6-15(7-9-16)19(21)22)17(20)23-11-14-4-2-13(10-18)3-5-14/h2-9,12H,11H2,1H3/t12-/m1/s1