ethyl 3-[4-methoxy-3-[4-(3-oxidanyl-1-phenylsulfanyl-propyl)phenoxy]phenyl]propanoate

Systemtic Name: ethyl 3-[4-methoxy-3-[4-(3-oxidanyl-1-phenylsulfanyl-propyl)phenoxy]phenyl]propanoate Openeye Name: ethyl 3-[3-[4-(3-hydroxy-1-phenylsulfanyl-propyl)phenoxy]-4-methoxy-phenyl]propanoate CAS Name: 3-[3-[4-[3-hydroxy-1-(phenylthio)propyl]phenoxy]-4-methoxyphenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(3-hydroxy-1-phenylsulfanylpropyl)phenoxy]-4-methoxyphenyl]propanoate Traditional Name: 3-[3-[4-[3-hydroxy-1-(phenylthio)propyl]phenoxy]-4-methoxy-phenyl]propionic acid ethyl ester Formula: C27H30O5S MolecularWeight: 466.5891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)OC)OC2=CC=C(C=C2)C(CCO)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)OC)OC2=CC=C(C=C2)C(CCO)SC3=CC=CC=C3

InChI

InChI=1S/C27H30O5S/c1-3-31-27(29)16-10-20-9-15-24(30-2)25(19-20)32-22-13-11-21(12-14-22)26(17-18-28)33-23-7-5-4-6-8-23/h4-9,11-15,19,26,28H,3,10,16-18H2,1-2H3