2-acetamido-3-[1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-oxo-propyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-keto-propyl]thio]propionic acid Formula: C22H24ClNO6S MolecularWeight: 465.94706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(CC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(CC(=O)C1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C22H24ClNO6S/c1-13(25)24-17(22(27)28)12-31-21(14-4-7-16(23)8-5-14)11-18(26)15-6-9-19(29-2)20(10-15)30-3/h4-10,17,21H,11-12H2,1-3H3,(H,24,25)(H,27,28)