2-[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-oxopropyl]thio]acetic acid IUPAC Name: 2-[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-keto-propyl]thio]acetic acid Formula: C19H19ClO5S MolecularWeight: 394.86916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)SCC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)SCC(=O)O)OC

InChI

InChI=1S/C19H19ClO5S/c1-24-14-7-8-15(17(9-14)25-2)16(21)10-18(26-11-19(22)23)12-3-5-13(20)6-4-12/h3-9,18H,10-11H2,1-2H3,(H,22,23)