3-[2-(4-methylsulfanylphenyl)-1,3-dithiolan-4-yl]propylsulfanylmethyl 2-methylprop-2-enoate

Systemtic Name: 3-[2-(4-methylsulfanylphenyl)-1,3-dithiolan-4-yl]propylsulfanylmethyl 2-methylprop-2-enoate Openeye Name: 3-[2-(4-methylsulfanylphenyl)-1,3-dithiolan-4-yl]propylsulfanylmethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [3-[2-[4-(methylthio)phenyl]-1,3-dithiolan-4-yl]propylthio]methyl ester IUPAC Name: 3-[2-(4-methylsulfanylphenyl)-1,3-dithiolan-4-yl]propylsulfanylmethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [3-[2-[4-(methylthio)phenyl]-1,3-dithiolan-4-yl]propylthio]methyl ester Formula: C18H24O2S4 MolecularWeight: 400.64196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCSCCCC1CSC(S1)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(=C)C(=O)OCSCCCC1CSC(S1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H24O2S4/c1-13(2)17(19)20-12-22-10-4-5-16-11-23-18(24-16)14-6-8-15(21-3)9-7-14/h6-9,16,18H,1,4-5,10-12H2,2-3H3