(phenylmethyl) (2S,3E)-3-[(2Z)-cyclooct-2-en-1-ylidene]-2-methyl-2-(3-oxidanylidenepropylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) (2S,3E)-3-[(2Z)-cyclooct-2-en-1-ylidene]-2-methyl-2-(3-oxidanylidenepropylsulfanyl)propanoate Openeye Name: benzyl (2S,3E)-3-[(2Z)-cyclooct-2-en-1-ylidene]-2-methyl-2-(3-oxopropylsulfanyl)propanoate CAS Name: (2S,3E)-3-[(2Z)-1-cyclooct-2-enylidene]-2-methyl-2-(3-oxopropylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3E)-3-[(2Z)-cyclooct-2-en-1-ylidene]-2-methyl-2-(3-oxopropylsulfanyl)propanoate Traditional Name: (2S,3E)-3-[(2Z)-cyclooct-2-en-1-ylidene]-2-(3-ketopropylthio)-2-methyl-propionic acid benzyl ester Formula: C22H28O3S MolecularWeight: 372.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CCCCCC=C1)(C(=O)OCC2=CC=CC=C2)SCCC=O

Isomeric SMILES

C[C@](/C=C/1\CCCCC/C=C1)(C(=O)OCC2=CC=CC=C2)SCCC=O

InChI

InChI=1S/C22H28O3S/c1-22(26-16-10-15-23,17-19-11-6-3-2-4-7-12-19)21(24)25-18-20-13-8-5-9-14-20/h5-6,8-9,11,13-15,17H,2-4,7,10,12,16,18H2,1H3/b11-6-,19-17-/t22-/m0/s1