2-[4-(2-cyanophenyl)phenyl]-2-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[4-(2-cyanophenyl)phenyl]-2-ethanoylsulfanyl-propanoic acid Openeye Name: 2-acetylsulfanyl-2-[4-(2-cyanophenyl)phenyl]propanoic acid CAS Name: 2-(acetylthio)-2-[4-(2-cyanophenyl)phenyl]propanoic acid IUPAC Name: 2-acetylsulfanyl-2-[4-(2-cyanophenyl)phenyl]propanoic acid Traditional Name: 2-(acetylthio)-2-[4-(2-cyanophenyl)phenyl]propionic acid Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(C1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC(=O)SC(C)(C1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C18H15NO3S/c1-12(20)23-18(2,17(21)22)15-9-7-13(8-10-15)16-6-4-3-5-14(16)11-19/h3-10H,1-2H3,(H,21,22)