(phenylmethyl) (2S,3E)-3-cyclohex-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-propanoate

Systemtic Name: (phenylmethyl) (2S,3E)-3-cyclohex-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-propanoate Openeye Name: benzyl (2S,3E)-3-cyclohex-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-propanoate CAS Name: (2S,3E)-3-(1-cyclohex-2-enylidene)-2-(3,3-dimethoxypropylthio)-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3E)-3-cyclohex-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methylpropanoate Traditional Name: (2S,3E)-3-cyclohex-2-en-1-ylidene-2-(3,3-dimethoxypropylthio)-2-methyl-propionic acid benzyl ester Formula: C22H30O4S MolecularWeight: 390.5362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CCCC=C1)(C(=O)OCC2=CC=CC=C2)SCCC(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4S/c1-22(16-18-10-6-4-7-11-18,27-15-14-20(24-2)25-3)21(23)26-17-19-12-8-5-9-13-19/h5-6,8-10,12-13,16,20H,4,7,11,14-15,17H2,1-3H3/b18-16-/t22-/m0/s1