2-(ethanoylsulfanylmethyl)-3-(4-phenylmethoxyphenyl)butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-phenylmethoxyphenyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-benzyloxyphenyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-phenylmethoxyphenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-phenylmethoxyphenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-benzoxyphenyl)butyric acid Formula: C20H22O4S MolecularWeight: 358.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C20H22O4S/c1-14(19(20(22)23)13-25-15(2)21)17-8-10-18(11-9-17)24-12-16-6-4-3-5-7-16/h3-11,14,19H,12-13H2,1-2H3,(H,22,23)