2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propylthio]nicotinic acid Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)(CCCSC2=C(C=CC=N2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COC(O1)(CCCSC2=C(C=CC=N2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNO4S/c19-14-6-4-13(5-7-14)18(23-10-11-24-18)8-2-12-25-16-15(17(21)22)3-1-9-20-16/h1,3-7,9H,2,8,10-12H2,(H,21,22)