1-(4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-(4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-(4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-(4-chlorophenyl)-3-(2-hydroxyethylthio)-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-(4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-chlorophenyl)-3-(2-hydroxyethylthio)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C20H23ClO5S MolecularWeight: 410.91162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC(=O)C2=CC=C(C=C2)Cl)SCCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CC(=O)C2=CC=C(C=C2)Cl)SCCO

InChI

InChI=1S/C20H23ClO5S/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(27-9-8-22)12-16(23)13-4-6-15(21)7-5-13/h4-7,10-11,19,22H,8-9,12H2,1-3H3