methyl (E,4R)-3-methyl-4-(2-phenylsulfanylethanoyloxy)dec-2-enoate

Systemtic Name: methyl (E,4R)-3-methyl-4-(2-phenylsulfanylethanoyloxy)dec-2-enoate Openeye Name: methyl (E,4R)-3-methyl-4-(2-phenylsulfanylacetyl)oxy-dec-2-enoate CAS Name: (E,4R)-3-methyl-4-[1-oxo-2-(phenylthio)ethoxy]-2-decenoic acid methyl ester IUPAC Name: methyl (E,4R)-3-methyl-4-(2-phenylsulfanylacetyl)oxydec-2-enoate Traditional Name: (E,4R)-3-methyl-4-[2-(phenylthio)acetyl]oxy-dec-2-enoic acid methyl ester Formula: C20H28O4S MolecularWeight: 364.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=CC(=O)OC)C)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCC[C@H](/C(=C/C(=O)OC)/C)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C20H28O4S/c1-4-5-6-10-13-18(16(2)14-19(21)23-3)24-20(22)15-25-17-11-8-7-9-12-17/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3/b16-14+/t18-/m1/s1