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

Systemtic Name: 3-[2-(4-cyanophenyl)ethoxy]-2-phenyl-2-phenylsulfanyl-propanoic acid Openeye Name: 3-[2-(4-cyanophenyl)ethoxy]-2-phenyl-2-phenylsulfanyl-propanoic acid CAS Name: 3-[2-(4-cyanophenyl)ethoxy]-2-phenyl-2-(phenylthio)propanoic acid IUPAC Name: 3-[2-(4-cyanophenyl)ethoxy]-2-phenyl-2-phenylsulfanylpropanoic acid Traditional Name: 3-[2-(4-cyanophenyl)ethoxy]-2-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)C(COCCC2=CC=C(C=C2)C#N)(C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(COCCC2=CC=C(C=C2)C#N)(C(=O)O)SC3=CC=CC=C3

InChI

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