3-(3,4-dimethoxyphenyl)-2-(ethanoylsulfanylmethyl)butanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(ethanoylsulfanylmethyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3,4-dimethoxyphenyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3,4-dimethoxyphenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3,4-dimethoxyphenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3,4-dimethoxyphenyl)butyric acid Formula: C15H20O5S MolecularWeight: 312.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C15H20O5S/c1-9(12(15(17)18)8-21-10(2)16)11-5-6-13(19-3)14(7-11)20-4/h5-7,9,12H,8H2,1-4H3,(H,17,18)