2-[(4-ethanoylphenyl)sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[(4-ethanoylphenyl)sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(4-acetylphenyl)sulfanylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[(4-acetylphenyl)thio]methyl]-5-phenylpentanoic acid IUPAC Name: 2-[(4-acetylphenyl)sulfanylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[(4-acetylphenyl)thio]methyl]-5-phenyl-valeric acid Formula: C20H22O3S MolecularWeight: 342.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SCC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SCC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H22O3S/c1-15(21)17-10-12-19(13-11-17)24-14-18(20(22)23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,18H,5,8-9,14H2,1H3,(H,22,23)