methyl 3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-benzyloxy-5-chloro-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(5-chloro-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxy-5-chloro-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C20H23ClO4S MolecularWeight: 394.91222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(CC1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCSCC(CC1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H23ClO4S/c1-24-20(23)9-10-26-14-18(22)12-16-11-17(21)7-8-19(16)25-13-15-5-3-2-4-6-15/h2-8,11,18,22H,9-10,12-14H2,1H3