[(2R,3R)-2-(2-sulfanylidenepyridin-1-yl)oxyhex-5-en-3-yl] benzoate

Systemtic Name: [(2R,3R)-2-(2-sulfanylidenepyridin-1-yl)oxyhex-5-en-3-yl] benzoate Openeye Name: [(1R)-1-[(1R)-1-[(2-thioxo-1-pyridyl)oxy]ethyl]but-3-enyl] benzoate CAS Name: benzoic acid [(2R,3R)-2-[(2-sulfanylidene-1-pyridinyl)oxy]hex-5-en-3-yl] ester IUPAC Name: [(2R,3R)-2-(2-sulfanylidenepyridin-1-yl)oxyhex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R)-1-[(2-thioxo-1-pyridyl)oxy]ethyl]but-3-enyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=C)OC(=O)C1=CC=CC=C1)ON2C=CC=CC2=S

Isomeric SMILES

C[C@H]([C@@H](CC=C)OC(=O)C1=CC=CC=C1)ON2C=CC=CC2=S

InChI

InChI=1S/C18H19NO3S/c1-3-9-16(21-18(20)15-10-5-4-6-11-15)14(2)22-19-13-8-7-12-17(19)23/h3-8,10-14,16H,1,9H2,2H3/t14-,16-/m1/s1