7-(4-chlorophenyl)-2-pyridin-2-ylsulfanyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-pyridin-2-ylsulfanyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(2-pyridylsulfanyl)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(2-pyridinylthio)heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-pyridin-2-ylsulfanylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(2-pyridylthio)enanthic acid Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H20ClNO2S/c19-15-11-9-14(10-12-15)6-2-1-3-7-16(18(21)22)23-17-8-4-5-13-20-17/h4-5,8-13,16H,1-3,6-7H2,(H,21,22)