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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)(C=C1CCCCCC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H28O3S/c1-3-20(23)26-22(2,16-18-12-8-5-4-6-9-13-18)21(24)25-17-19-14-10-7-11-15-19/h7-8,10-12,14-16H,3-6,9,13,17H2,1-2H3/b12-8-,18-16-/t22-/m0/s1