[3-cyclopentyl-2-[(3-methoxyphenyl)methoxy]phenyl] 2-(2-oxidanylpropylsulfanyl)propanoate

Systemtic Name: [3-cyclopentyl-2-[(3-methoxyphenyl)methoxy]phenyl] 2-(2-oxidanylpropylsulfanyl)propanoate Openeye Name: [3-cyclopentyl-2-[(3-methoxyphenyl)methoxy]phenyl] 2-(2-hydroxypropylsulfanyl)propanoate CAS Name: 2-(2-hydroxypropylthio)propanoic acid [3-cyclopentyl-2-[(3-methoxyphenyl)methoxy]phenyl] ester IUPAC Name: [3-cyclopentyl-2-[(3-methoxyphenyl)methoxy]phenyl] 2-(2-hydroxypropylsulfanyl)propanoate Traditional Name: 2-(2-hydroxypropylthio)propionic acid (3-cyclopentyl-2-m-anisyloxy-phenyl) ester Formula: C25H32O5S MolecularWeight: 444.58358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(C)C(=O)OC1=CC=CC(=C1OCC2=CC(=CC=C2)OC)C3CCCC3)O

Isomeric SMILES

CC(CSC(C)C(=O)OC1=CC=CC(=C1OCC2=CC(=CC=C2)OC)C3CCCC3)O

InChI

InChI=1S/C25H32O5S/c1-17(26)16-31-18(2)25(27)30-23-13-7-12-22(20-9-4-5-10-20)24(23)29-15-19-8-6-11-21(14-19)28-3/h6-8,11-14,17-18,20,26H,4-5,9-10,15-16H2,1-3H3