methyl 3-[2-oxidanyl-3-(2-phenylmethoxyphenyl)propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanyl-3-(2-phenylmethoxyphenyl)propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-benzyloxyphenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-3-(2-phenylmethoxyphenyl)propyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-(2-phenylmethoxyphenyl)propyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxyphenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C20H24O4S MolecularWeight: 360.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(CC1=CC=CC=C1OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCSCC(CC1=CC=CC=C1OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H24O4S/c1-23-20(22)11-12-25-15-18(21)13-17-9-5-6-10-19(17)24-14-16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3