methyl 4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)propyl]benzoate

Systemtic Name: methyl 4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)propyl]benzoate Openeye Name: methyl 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)propyl]benzoate CAS Name: 4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)propyl]benzoate Traditional Name: 4-[3-[2-benzoxy-5-(methylthio)phenyl]propyl]benzoic acid methyl ester Formula: C25H26O3S MolecularWeight: 406.53714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26O3S/c1-27-25(26)21-13-11-19(12-14-21)9-6-10-22-17-23(29-2)15-16-24(22)28-18-20-7-4-3-5-8-20/h3-5,7-8,11-17H,6,9-10,18H2,1-2H3