(phenylmethyl) 4-ethanoylsulfanyl-4-(4-phenylphenyl)butanoate

Systemtic Name: (phenylmethyl) 4-ethanoylsulfanyl-4-(4-phenylphenyl)butanoate Openeye Name: benzyl 4-acetylsulfanyl-4-(4-phenylphenyl)butanoate CAS Name: 4-(acetylthio)-4-(4-phenylphenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetylsulfanyl-4-(4-phenylphenyl)butanoate Traditional Name: 4-(acetylthio)-4-(4-phenylphenyl)butyric acid benzyl ester Formula: C25H24O3S MolecularWeight: 404.52126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC(=O)OCC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SC(CCC(=O)OCC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H24O3S/c1-19(26)29-24(16-17-25(27)28-18-20-8-4-2-5-9-20)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3