3-[4-[2-(4-cyanophenyl)ethoxy]phenyl]-2-phenylsulfanyl-propanoic acid

Systemtic Name: 3-[4-[2-(4-cyanophenyl)ethoxy]phenyl]-2-phenylsulfanyl-propanoic acid Openeye Name: 3-[4-[2-(4-cyanophenyl)ethoxy]phenyl]-2-phenylsulfanyl-propanoic acid CAS Name: 3-[4-[2-(4-cyanophenyl)ethoxy]phenyl]-2-(phenylthio)propanoic acid IUPAC Name: 3-[4-[2-(4-cyanophenyl)ethoxy]phenyl]-2-phenylsulfanylpropanoic acid Traditional Name: 3-[4-[2-(4-cyanophenyl)ethoxy]phenyl]-2-(phenylthio)propionic acid Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)OCCC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)OCCC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C24H21NO3S/c25-17-20-8-6-18(7-9-20)14-15-28-21-12-10-19(11-13-21)16-23(24(26)27)29-22-4-2-1-3-5-22/h1-13,23H,14-16H2,(H,26,27)