(2R)-2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: (2R)-2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: (2R)-2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: (2R)-2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C20H13ClN2O2S MolecularWeight: 380.84742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H13ClN2O2S/c21-16-9-6-13(7-10-16)17-11-8-15(12-22)19(23-17)26-18(20(24)25)14-4-2-1-3-5-14/h1-11,18H,(H,24,25)/t18-/m1/s1